6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine

C10H13ClN4 — CID 143678528

IUPAC6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1/C=N/C1CCCC1
InChIInChI=1S/C10H13ClN4/c11-9-8(10(12)15-6-14-9)5-13-7-3-1-2-4-7/h5-7H,1-4H2,(H2,12,14,15)/b13-5+
InChIKeyZSDIGBMTBOCGGE-WLRTZDKTSA-N
MW224.69 g/mol
LogP2.07
Rot. Bonds2

About 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine

6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine (PubChem CID 143678528) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine
PubChem CID143678528
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1/C=N/C1CCCC1
InChIInChI=1S/C10H13ClN4/c11-9-8(10(12)15-6-14-9)5-13-7-3-1-2-4-7/h5-7H,1-4H2,(H2,12,14,15)/b13-5+
InChIKeyZSDIGBMTBOCGGE-WLRTZDKTSA-N
XLogP2.07
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine (CID 143678528) is 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine is Nc1ncnc(Cl)c1/C=N/C1CCCC1.
What is the InChIKey of 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine?
The InChIKey is ZSDIGBMTBOCGGE-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-8(10(12)15-6-14-9)5-13-7-3-1-2-4-7/h5-7H,1-4H2,(H2,12,14,15)/b13-5+.
What are the key properties of 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine?
6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine has a molecular weight of 224.69 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 143678528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).