(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone

C11H14ClN3O — CID 102538212

IUPAC(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-8-7-9(14-11(12)13-8)10(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3
InChIKeyTUXWRSVGFGXCQQ-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.06
Rot. Bonds1

About (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone

(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone (PubChem CID 102538212) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
PubChem CID102538212
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-8-7-9(14-11(12)13-8)10(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3
InChIKeyTUXWRSVGFGXCQQ-UHFFFAOYSA-N
XLogP2.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-chloro-6-methylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 114219391
azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
CID 114220533
azepan-1-yl-[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334510
(2-chloro-6-methylpyrimidin-4-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114219653
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
[2-(2,6-dichloroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321897
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
azepan-1-yl-[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321261
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322479
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone (CID 102538212) is (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)nc(Cl)n1.
What is the InChIKey of (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is TUXWRSVGFGXCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8-7-9(14-11(12)13-8)10(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3.
What are the key properties of (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 239.71 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 102538212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).