2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

C16H20N4 — CID 80983282

IUPAC2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(N(C)c2nc(C3CC3)nc(N)c2C)cc1
InChIInChI=1S/C16H20N4/c1-10-4-8-13(9-5-10)20(3)16-11(2)14(17)18-15(19-16)12-6-7-12/h4-5,8-9,12H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeyIHTDQELYSBWOOV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80983282) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80983282
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(N(C)c2nc(C3CC3)nc(N)c2C)cc1
InChIInChI=1S/C16H20N4/c1-10-4-8-13(9-5-10)20(3)16-11(2)14(17)18-15(19-16)12-6-7-12/h4-5,8-9,12H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeyIHTDQELYSBWOOV-UHFFFAOYSA-N
XLogP3.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993505
2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994161
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986494
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80817498
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-cyclopropyl-6-methylquinazolin-4-amine
CID 103691727
2-cyclopropyl-N-(3-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81007580

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 80983282) is 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(N(C)c2nc(C3CC3)nc(N)c2C)cc1.
What is the InChIKey of 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is IHTDQELYSBWOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-4-8-13(9-5-10)20(3)16-11(2)14(17)18-15(19-16)12-6-7-12/h4-5,8-9,12H,6-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).