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

C16H20N4 — CID 80975985

IUPAC2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1C
InChIInChI=1S/C16H20N4/c1-9-4-7-13(8-10(9)2)18-15-11(3)14(17)19-16(20-15)12-5-6-12/h4,7-8,12H,5-6H2,1-3H3,(H3,17,18,19,20)
InChIKeyGMNFAHJPSUZFJZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.61
Rot. Bonds3

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

2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80975985) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80975985
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1C
InChIInChI=1S/C16H20N4/c1-9-4-7-13(8-10(9)2)18-15-11(3)14(17)19-16(20-15)12-5-6-12/h4,7-8,12H,5-6H2,1-3H3,(H3,17,18,19,20)
InChIKeyGMNFAHJPSUZFJZ-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80975985) is 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine is Cc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1C.
What is the InChIKey of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is GMNFAHJPSUZFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-9-4-7-13(8-10(9)2)18-15-11(3)14(17)19-16(20-15)12-5-6-12/h4,7-8,12H,5-6H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.61, 3 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)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80975985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).