5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine

C12H19ClN4 — CID 106811786

IUPAC5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NCCCC2CCCC2)c1Cl
InChIInChI=1S/C12H19ClN4/c13-10-11(14)16-8-17-12(10)15-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H3,14,15,16,17)
InChIKeyRSKJVMUKCPEUDK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds5

About 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine

5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine (PubChem CID 106811786) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
PubChem CID106811786
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NCCCC2CCCC2)c1Cl
InChIInChI=1S/C12H19ClN4/c13-10-11(14)16-8-17-12(10)15-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H3,14,15,16,17)
InChIKeyRSKJVMUKCPEUDK-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
5-bromo-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106014958
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
CID 106007206
4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106007220
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106812142
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine (CID 106811786) is 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine is Nc1ncnc(NCCCC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
The InChIKey is RSKJVMUKCPEUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c13-10-11(14)16-8-17-12(10)15-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine has a molecular weight of 254.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106811786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).