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

C13H22N4 — CID 80811378

IUPAC4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(CC(C)C)C2CC2)n1
InChIInChI=1S/C13H22N4/c1-9(2)8-17(11-5-6-11)12-7-10(3)15-13(14-4)16-12/h7,9,11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyQUJGPKPUEXBTEL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.45
Rot. Bonds5

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

4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 80811378) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID80811378
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(CC(C)C)C2CC2)n1
InChIInChI=1S/C13H22N4/c1-9(2)8-17(11-5-6-11)12-7-10(3)15-13(14-4)16-12/h7,9,11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyQUJGPKPUEXBTEL-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815269
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774522
N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567101
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
2-N,4-N,6-trimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80764020
4-N-cyclopropyl-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564619
4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833627
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833914
3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829150
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 80811378) is 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CNc1nc(C)cc(N(CC(C)C)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is QUJGPKPUEXBTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)8-17(11-5-6-11)12-7-10(3)15-13(14-4)16-12/h7,9,11H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80811378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).