2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine

C12H19ClN4 — CID 137334359

IUPAC2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCc1ncc(Cl)c(N2CCCC(CCN)C2)n1
InChIInChI=1S/C12H19ClN4/c1-9-15-7-11(13)12(16-9)17-6-2-3-10(8-17)4-5-14/h7,10H,2-6,8,14H2,1H3
InChIKeyNWZIGZUEFLSHCK-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.00
Rot. Bonds3

About 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine

2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine (PubChem CID 137334359) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
PubChem CID137334359
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCc1ncc(Cl)c(N2CCCC(CCN)C2)n1
InChIInChI=1S/C12H19ClN4/c1-9-15-7-11(13)12(16-9)17-6-2-3-10(8-17)4-5-14/h7,10H,2-6,8,14H2,1H3
InChIKeyNWZIGZUEFLSHCK-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 137334881
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
CID 83065103
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870
7-(5-chloro-2-methylpyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 137340601
2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
CID 79633490
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
CID 65168736
5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 176692044
5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 167788544

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine (CID 137334359) is 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine is Cc1ncc(Cl)c(N2CCCC(CCN)C2)n1.
What is the InChIKey of 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is NWZIGZUEFLSHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-9-15-7-11(13)12(16-9)17-6-2-3-10(8-17)4-5-14/h7,10H,2-6,8,14H2,1H3.
What are the key properties of 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine?
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 137334359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).