4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine

C89H94Cl5F4N23O — CID 158829266

IUPAC4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1cc(-c2cc(Cl)ccc2C)nc(N)n1.CCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1
InChIInChI=1S/C16H21N3.C13H14ClN3.C13H15N3.C12H11Cl2N3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17)
InChIKeyIWVMEWYORJFRQC-UHFFFAOYSA-N
MW1755.15 g/mol
LogP20.72
Rot. Bonds15

About 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 158829266) has the molecular formula C89H94Cl5F4N23O and a molecular weight of 1755.15 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID158829266
Molecular FormulaC89H94Cl5F4N23O
Molecular Weight1755.15 g/mol
Exact Mass1751.64
IUPAC Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1cc(-c2cc(Cl)ccc2C)nc(N)n1.CCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1
InChIInChI=1S/C16H21N3.C13H14ClN3.C13H15N3.C12H11Cl2N3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17)
InChIKeyIWVMEWYORJFRQC-UHFFFAOYSA-N
XLogP20.72
TPSA395.89 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001755.15
LogP ≤ 520.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 158829266) is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine is CCc1cc(-c2cc(Cl)ccc2C)nc(N)n1.CCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is IWVMEWYORJFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C13H14ClN3.C13H15N3.C12H11Cl2N3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 1755.15 g/mol, XLogP of 20.72, 15 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 158829266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).