4-(azepan-1-yl)-6-chloropyrimidin-2-amine

C10H15ClN4 — CID 31537603

IUPAC4-(azepan-1-yl)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCCCC2)n1
InChIInChI=1S/C10H15ClN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)
InChIKeyZROHTIOCEGAWLB-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.09
Rot. Bonds1

About 4-(azepan-1-yl)-6-chloropyrimidin-2-amine

4-(azepan-1-yl)-6-chloropyrimidin-2-amine (PubChem CID 31537603) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-chloropyrimidin-2-amine
PubChem CID31537603
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-(azepan-1-yl)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCCCC2)n1
InChIInChI=1S/C10H15ClN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)
InChIKeyZROHTIOCEGAWLB-UHFFFAOYSA-N
XLogP2.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-chloropyrimidin-2-amine (CID 31537603) is 4-(azepan-1-yl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-chloropyrimidin-2-amine is Nc1nc(Cl)cc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-chloropyrimidin-2-amine?
The InChIKey is ZROHTIOCEGAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14).
What are the key properties of 4-(azepan-1-yl)-6-chloropyrimidin-2-amine?
4-(azepan-1-yl)-6-chloropyrimidin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 31537603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).