4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine

C11H17ClN4 — CID 63623719

IUPAC4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine
SMILESCC1CCCN(c2ncnc(Cl)c2N)CC1
InChIInChI=1S/C11H17ClN4/c1-8-3-2-5-16(6-4-8)11-9(13)10(12)14-7-15-11/h7-8H,2-6,13H2,1H3
InChIKeyOOJVBUYKNMDZHV-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.34
Rot. Bonds1

About 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine

4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine (PubChem CID 63623719) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine
PubChem CID63623719
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine
SMILESCC1CCCN(c2ncnc(Cl)c2N)CC1
InChIInChI=1S/C11H17ClN4/c1-8-3-2-5-16(6-4-8)11-9(13)10(12)14-7-15-11/h7-8H,2-6,13H2,1H3
InChIKeyOOJVBUYKNMDZHV-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine (CID 63623719) is 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine is CC1CCCN(c2ncnc(Cl)c2N)CC1.
What is the InChIKey of 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine?
The InChIKey is OOJVBUYKNMDZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-3-2-5-16(6-4-8)11-9(13)10(12)14-7-15-11/h7-8H,2-6,13H2,1H3.
What are the key properties of 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine?
4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine has a molecular weight of 240.74 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 63623719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).