2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C21H24N4O2 — CID 137271929

IUPAC2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)N(C)c2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cc1
InChIInChI=1S/C21H24N4O2/c1-13-14(2)23-20(24-21(13)26)17-8-11-19(22-12-17)25(4)15(3)16-6-9-18(27-5)10-7-16/h6-12,15H,1-5H3,(H,23,24,26)
InChIKeyWYAMEGRPTJRPQP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds5

About 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137271929) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137271929
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)N(C)c2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cc1
InChIInChI=1S/C21H24N4O2/c1-13-14(2)23-20(24-21(13)26)17-8-11-19(22-12-17)25(4)15(3)16-6-9-18(27-5)10-7-16/h6-12,15H,1-5H3,(H,23,24,26)
InChIKeyWYAMEGRPTJRPQP-UHFFFAOYSA-N
XLogP3.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137275142
4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137269828
2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275234
2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275396
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 70611813
2-[6-[benzyl(cyclopropyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137271933
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137262944
2-[6-[1-benzothiophen-3-ylmethyl(methyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274793
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
2-[6-[(1-benzylimidazol-2-yl)methyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137267785
2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137061342
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273786

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137271929) is 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccc(C(C)N(C)c2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cc1.
What is the InChIKey of 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is WYAMEGRPTJRPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-14(2)23-20(24-21(13)26)17-8-11-19(22-12-17)25(4)15(3)16-6-9-18(27-5)10-7-16/h6-12,15H,1-5H3,(H,23,24,26).
What are the key properties of 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 364.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137271929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).