6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

C13H21ClN4 — CID 134352965

IUPAC6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(N)c(CCC2CCN(C)CC2)c(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-9-16-12(14)11(13(15)17-9)4-3-10-5-7-18(2)8-6-10/h10H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyLYFDPYNYEDAFSH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.30
Rot. Bonds3

About 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 134352965) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
PubChem CID134352965
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(N)c(CCC2CCN(C)CC2)c(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-9-16-12(14)11(13(15)17-9)4-3-10-5-7-18(2)8-6-10/h10H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyLYFDPYNYEDAFSH-UHFFFAOYSA-N
XLogP2.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (CID 134352965) is 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(N)c(CCC2CCN(C)CC2)c(Cl)n1.
What is the InChIKey of 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LYFDPYNYEDAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-16-12(14)11(13(15)17-9)4-3-10-5-7-18(2)8-6-10/h10H,3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 134352965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).