1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine

C13H21ClN4 — CID 81460276

IUPAC1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2nc(C)cc(Cl)n2)CCC1N
InChIInChI=1S/C13H21ClN4/c1-3-10-7-18(5-4-11(10)15)8-13-16-9(2)6-12(14)17-13/h6,10-11H,3-5,7-8,15H2,1-2H3
InChIKeyAMYYLZBOEFHWQO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.00
Rot. Bonds3

About 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine (PubChem CID 81460276) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
PubChem CID81460276
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2nc(C)cc(Cl)n2)CCC1N
InChIInChI=1S/C13H21ClN4/c1-3-10-7-18(5-4-11(10)15)8-13-16-9(2)6-12(14)17-13/h6,10-11H,3-5,7-8,15H2,1-2H3
InChIKeyAMYYLZBOEFHWQO-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine (CID 81460276) is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine is CCC1CN(Cc2nc(C)cc(Cl)n2)CCC1N.
What is the InChIKey of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine?
The InChIKey is AMYYLZBOEFHWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-10-7-18(5-4-11(10)15)8-13-16-9(2)6-12(14)17-13/h6,10-11H,3-5,7-8,15H2,1-2H3.
What are the key properties of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine?
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine has a molecular weight of 268.79 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 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).