[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C19H23ClN4O2 — CID 109334057

IUPAC[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-12-5-4-8-24(11-12)18(25)16-9-13(2)21-19(23-16)22-14-6-7-17(26-3)15(20)10-14/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,21,22,23)
InChIKeyUFNXJISDKLOVLR-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.06
Rot. Bonds4

About [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109334057) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109334057
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-12-5-4-8-24(11-12)18(25)16-9-13(2)21-19(23-16)22-14-6-7-17(26-3)15(20)10-14/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,21,22,23)
InChIKeyUFNXJISDKLOVLR-UHFFFAOYSA-N
XLogP4.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334053
[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334056
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109334057) is [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UFNXJISDKLOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-5-4-8-24(11-12)18(25)16-9-13(2)21-19(23-16)22-14-6-7-17(26-3)15(20)10-14/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,21,22,23).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 374.87 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109334057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).