4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine

C13H22N4 — CID 80833627

IUPAC4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(C)CC2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-10-8-12(16-13(14-2)15-10)17(3)9-11-6-4-5-7-11/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyXGHYEQRLGGTAML-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.45
Rot. Bonds4

About 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine

4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine (PubChem CID 80833627) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
PubChem CID80833627
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(C)CC2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-10-8-12(16-13(14-2)15-10)17(3)9-11-6-4-5-7-11/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyXGHYEQRLGGTAML-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-(cyclopentylmethyl)-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80910183
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833914
4-N-(2,2-dimethylpropyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80819241
4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771813
N,N-dimethyl-2-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779921
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 107403115
4-N-(cyclopentylmethyl)-2-N,2-N-diethyl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816084
2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815269
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80811378
2-N,4-N,6-trimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80764020

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine (CID 80833627) is 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(N(C)CC2CCCC2)n1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The InChIKey is XGHYEQRLGGTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-8-12(16-13(14-2)15-10)17(3)9-11-6-4-5-7-11/h8,11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80833627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).