5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine

C90H115BrClIN26O2S — CID 167566863

IUPAC5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Oc2cnc(N)nc2NCCN(C)C)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1
InChIInChI=1S/C17H26N6OS.C16H18N4.C15H20N4O.C14H17BrN4.C14H17ClN4.C14H17IN4/c1-11(2)12-9-20-15(25-5)8-13(12)24-14-10-21-17(18)22-16(14)19-6-7-23(3)4;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;3*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16/h8-11H,6-7H2,1-5H3,(H3,18,19,21,22);1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);3*5-8H,4H2,1-3H3,(H2,16,17,19)
InChIKeyFJXIIRJQXOYOSN-UHFFFAOYSA-N
MW1867.42 g/mol
LogP17.46
Rot. Bonds24

About 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 167566863) has the molecular formula C90H115BrClIN26O2S and a molecular weight of 1867.42 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID167566863
Molecular FormulaC90H115BrClIN26O2S
Molecular Weight1867.42 g/mol
Exact Mass1864.73
IUPAC Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Oc2cnc(N)nc2NCCN(C)C)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1
InChIInChI=1S/C17H26N6OS.C16H18N4.C15H20N4O.C14H17BrN4.C14H17ClN4.C14H17IN4/c1-11(2)12-9-20-15(25-5)8-13(12)24-14-10-21-17(18)22-16(14)19-6-7-23(3)4;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;3*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16/h8-11H,6-7H2,1-5H3,(H3,18,19,21,22);1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);3*5-8H,4H2,1-3H3,(H2,16,17,19)
InChIKeyFJXIIRJQXOYOSN-UHFFFAOYSA-N
XLogP17.46
TPSA421.87 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001867.42
LogP ≤ 517.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (CID 167566863) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is C#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Oc2cnc(N)nc2NCCN(C)C)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is FJXIIRJQXOYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS.C16H18N4.C15H20N4O.C14H17BrN4.C14H17ClN4.C14H17IN4/c1-11(2)12-9-20-15(25-5)8-13(12)24-14-10-21-17(18)22-16(14)19-6-7-23(3)4;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;3*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16/h8-11H,6-7H2,1-5H3,(H3,18,19,21,22);1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);3*5-8H,4H2,1-3H3,(H2,16,17,19).
What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 1867.42 g/mol, XLogP of 17.46, 24 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;4-N-[2-(dimethylamino)ethyl]-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167566863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).