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

C14H21Cl2N5 — CID 57287552

IUPAC5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC1CNCCN1c1nc(Cl)c(Cl)c(NC2CCCC2)n1
InChIInChI=1S/C14H21Cl2N5/c1-9-8-17-6-7-21(9)14-19-12(16)11(15)13(20-14)18-10-4-2-3-5-10/h9-10,17H,2-8H2,1H3,(H,18,19,20)
InChIKeyIEKRMWYGHFZFCS-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.94
Rot. Bonds3

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

5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 57287552) has the molecular formula C14H21Cl2N5 and a molecular weight of 330.26 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID57287552
Molecular FormulaC14H21Cl2N5
Molecular Weight330.26 g/mol
Exact Mass329.12
IUPAC Name5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC1CNCCN1c1nc(Cl)c(Cl)c(NC2CCCC2)n1
InChIInChI=1S/C14H21Cl2N5/c1-9-8-17-6-7-21(9)14-19-12(16)11(15)13(20-14)18-10-4-2-3-5-10/h9-10,17H,2-8H2,1H3,(H,18,19,20)
InChIKeyIEKRMWYGHFZFCS-UHFFFAOYSA-N
XLogP2.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 116976419
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
4-methoxy-2-(2-methylpiperazin-1-yl)pyrimidine
CID 62672840
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine (CID 57287552) is 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine is CC1CNCCN1c1nc(Cl)c(Cl)c(NC2CCCC2)n1.
What is the InChIKey of 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is IEKRMWYGHFZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N5/c1-9-8-17-6-7-21(9)14-19-12(16)11(15)13(20-14)18-10-4-2-3-5-10/h9-10,17H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine?
5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 330.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 57287552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).