6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine

C13H21ClN4 — CID 82459498

IUPAC6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-8(2)7-10-17-12(14)11(15)13(18-10)16-9-5-3-4-6-9/h8-9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyLPJVZEDFCQHJIN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.27
Rot. Bonds4

About 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82459498) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82459498
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-8(2)7-10-17-12(14)11(15)13(18-10)16-9-5-3-4-6-9/h8-9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyLPJVZEDFCQHJIN-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970789
4,6-dichloro-N-(imidazolidin-2-ylidene)-2-methylpyrimidin-5-amine
CID 87373396
6,7-Di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine
CID 71373653
n4-Butyl-6-chloropyrimidine-4,5-diamine
CID 227571
6-chloro-4-N-cyclohexyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 138684457
6-Chloro-n4-cyclopentylpyrimidine-4,5-diamine
CID 227368
6-chloro-4-N-ethylpyrimidine-2,4,5-triamine
CID 229863
6-Chloro-N4-pentyl-4,5-pyrimidinediamine
CID 10846332
6-chloro-4-N-propan-2-yl-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 33695452
6-Chloro-N~4~-cyclohexylpyrimidine-4,5-diamine
CID 227053
4-N-butyl-6-chloropyrimidine-2,4,5-triamine
CID 234334
6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 10149179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82459498) is 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)Cc1nc(Cl)c(N)c(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is LPJVZEDFCQHJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-8(2)7-10-17-12(14)11(15)13(18-10)16-9-5-3-4-6-9/h8-9H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).