2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C17H22N4 — CID 80977442

IUPAC2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(Nc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C17H22N4/c1-10-5-8-14(9-11(10)2)19-16-12(3)15(18-4)20-17(21-16)13-6-7-13/h5,8-9,13H,6-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyGKTSUHOCJVTWCU-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80977442) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80977442
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(Nc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C17H22N4/c1-10-5-8-14(9-11(10)2)19-16-12(3)15(18-4)20-17(21-16)13-6-7-13/h5,8-9,13H,6-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyGKTSUHOCJVTWCU-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80985427
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981560
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982612
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 102807808
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80977442) is 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(Nc2ccc(C)c(C)c2)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is GKTSUHOCJVTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-10-5-8-14(9-11(10)2)19-16-12(3)15(18-4)20-17(21-16)13-6-7-13/h5,8-9,13H,6-7H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80977442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).