6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane

C17H24BrN5 — CID 143021117

IUPAC6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane
SMILESC=Cc1c(Br)nc(N)nc1NCc1ncc(C)c(C)c1C.CC
InChIInChI=1S/C15H18BrN5.C2H6/c1-5-11-13(16)20-15(17)21-14(11)19-7-12-10(4)9(3)8(2)6-18-12;1-2/h5-6H,1,7H2,2-4H3,(H3,17,19,20,21);1-2H3
InChIKeyCSKJEBLGJWCMQI-UHFFFAOYSA-N
MW378.32 g/mol
LogP4.42
Rot. Bonds4

About 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane

6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane (PubChem CID 143021117) has the molecular formula C17H24BrN5 and a molecular weight of 378.32 g/mol. Its IUPAC name is 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane
PubChem CID143021117
Molecular FormulaC17H24BrN5
Molecular Weight378.32 g/mol
Exact Mass377.12
IUPAC Name6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane
SMILESC=Cc1c(Br)nc(N)nc1NCc1ncc(C)c(C)c1C.CC
InChIInChI=1S/C15H18BrN5.C2H6/c1-5-11-13(16)20-15(17)21-14(11)19-7-12-10(4)9(3)8(2)6-18-12;1-2/h5-6H,1,7H2,2-4H3,(H3,17,19,20,21);1-2H3
InChIKeyCSKJEBLGJWCMQI-UHFFFAOYSA-N
XLogP4.42
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane with MolForge

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Related Compounds

6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 143021220
6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine
CID 143021199
6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
CID 143429632
6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72930789
4-N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80836650
CID 89371651
CID 89371651
(3,4,5-trimethyl-2-pyridinyl)hydrazine
CID 59320164
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80768940
9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
CID 163877048
5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 135118772

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane?
The IUPAC name of 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane (CID 143021117) is 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane is C=Cc1c(Br)nc(N)nc1NCc1ncc(C)c(C)c1C.CC.
What is the InChIKey of 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane?
The InChIKey is CSKJEBLGJWCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5.C2H6/c1-5-11-13(16)20-15(17)21-14(11)19-7-12-10(4)9(3)8(2)6-18-12;1-2/h5-6H,1,7H2,2-4H3,(H3,17,19,20,21);1-2H3.
What are the key properties of 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane?
6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane has a molecular weight of 378.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-ethenyl-4-N-[(3,4,5-trimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 143021117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).