2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine

C13H22N4 — CID 80955816

IUPAC2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(C)(C)Nc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C13H22N4/c1-5-13(2,3)17-11-8-10(14-4)15-12(16-11)9-6-7-9/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyVXPWJOQFXICMHI-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.00
Rot. Bonds5

About 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80955816) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80955816
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(C)(C)Nc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C13H22N4/c1-5-13(2,3)17-11-8-10(14-4)15-12(16-11)9-6-7-9/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyVXPWJOQFXICMHI-UHFFFAOYSA-N
XLogP3.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075
2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine
CID 80962555
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280746
N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65401576

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80955816) is 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine is CCC(C)(C)Nc1cc(NC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is VXPWJOQFXICMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-5-13(2,3)17-11-8-10(14-4)15-12(16-11)9-6-7-9/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80955816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).