5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C14H21Cl2N5 — CID 13151088

IUPAC5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(Cl)c(Cl)c(NC3CCCC3)n2)CC1
InChIInChI=1S/C14H21Cl2N5/c1-20-6-8-21(9-7-20)14-18-12(16)11(15)13(19-14)17-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,17,18,19)
InChIKeyJJUHBOAGMJQKNV-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.89
Rot. Bonds3

About 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 13151088) has the molecular formula C14H21Cl2N5 and a molecular weight of 330.26 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID13151088
Molecular FormulaC14H21Cl2N5
Molecular Weight330.26 g/mol
Exact Mass329.12
IUPAC Name5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(Cl)c(Cl)c(NC3CCCC3)n2)CC1
InChIInChI=1S/C14H21Cl2N5/c1-20-6-8-21(9-7-20)14-18-12(16)11(15)13(19-14)17-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,17,18,19)
InChIKeyJJUHBOAGMJQKNV-UHFFFAOYSA-N
XLogP2.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 13151088) is 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2nc(Cl)c(Cl)c(NC3CCCC3)n2)CC1.
What is the InChIKey of 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is JJUHBOAGMJQKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N5/c1-20-6-8-21(9-7-20)14-18-12(16)11(15)13(19-14)17-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 330.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 13151088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).