[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone

C19H24N4O3 — CID 56873653

IUPAC[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(c3ncc(C)c(N)n3)C2)c(OC)c1
InChIInChI=1S/C19H24N4O3/c1-12-10-21-19(22-18(12)20)23-8-4-5-13(11-23)17(24)15-7-6-14(25-2)9-16(15)26-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H2,20,21,22)
InChIKeyZRWPCCJLOPHSFU-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.48
Rot. Bonds5

About [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone

[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 56873653) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID56873653
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(c3ncc(C)c(N)n3)C2)c(OC)c1
InChIInChI=1S/C19H24N4O3/c1-12-10-21-19(22-18(12)20)23-8-4-5-13(11-23)17(24)15-7-6-14(25-2)9-16(15)26-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H2,20,21,22)
InChIKeyZRWPCCJLOPHSFU-UHFFFAOYSA-N
XLogP2.48
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 97143492
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 95730182
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
(3R)-N-(2,4-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085918
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
ethyl (3R)-1-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]piperidine-3-carboxylate
CID 92899200
ethyl 1-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]piperidine-3-carboxylate
CID 50840466

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone (CID 56873653) is [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2CCCN(c3ncc(C)c(N)n3)C2)c(OC)c1.
What is the InChIKey of [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is ZRWPCCJLOPHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-10-21-19(22-18(12)20)23-8-4-5-13(11-23)17(24)15-7-6-14(25-2)9-16(15)26-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H2,20,21,22).
What are the key properties of [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 56873653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).