[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C19H24N4O — CID 42821172

IUPAC[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(C)c1nc(-c2cccc(C)c2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C19H24N4O/c1-4-22(3)18-16(19(24)23-10-5-6-11-23)13-20-17(21-18)15-9-7-8-14(2)12-15/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyHEEORWMEFMPPSC-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.14
Rot. Bonds4

About [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42821172) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42821172
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(C)c1nc(-c2cccc(C)c2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C19H24N4O/c1-4-22(3)18-16(19(24)23-10-5-6-11-23)13-20-17(21-18)15-9-7-8-14(2)12-15/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyHEEORWMEFMPPSC-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93138282
[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 42670869
[4-(4-benzylpiperazin-1-yl)-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670917
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
ethyl 1-[4-[benzyl(methyl)amino]-2-phenylpyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42820759
1-[4-[2-(3-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 97478193
[4-(N-ethyl-3-methylanilino)-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42671339
[4-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56915918
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
CID 42670833

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 42821172) is [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is CCN(C)c1nc(-c2cccc(C)c2)ncc1C(=O)N1CCCC1.
What is the InChIKey of [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HEEORWMEFMPPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-22(3)18-16(19(24)23-10-5-6-11-23)13-20-17(21-18)15-9-7-8-14(2)12-15/h7-9,12-13H,4-6,10-11H2,1-3H3.
What are the key properties of [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42821172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).