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

C20H22N4O3 — CID 137275396

IUPAC2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cccc(C(O)CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1
InChIInChI=1S/C20H22N4O3/c1-12-13(2)23-19(24-20(12)26)15-7-8-18(21-10-15)22-11-17(25)14-5-4-6-16(9-14)27-3/h4-10,17,25H,11H2,1-3H3,(H,21,22)(H,23,24,26)
InChIKeyJCVNKZAIDZAOTF-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.60
Rot. Bonds6

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

2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137275396) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137275396
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cccc(C(O)CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1
InChIInChI=1S/C20H22N4O3/c1-12-13(2)23-19(24-20(12)26)15-7-8-18(21-10-15)22-11-17(25)14-5-4-6-16(9-14)27-3/h4-10,17,25H,11H2,1-3H3,(H,21,22)(H,23,24,26)
InChIKeyJCVNKZAIDZAOTF-UHFFFAOYSA-N
XLogP2.60
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137271929
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137262944
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
1-(3-methoxyphenyl)-2-[[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824538
2-[6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268895
4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 137274775
4,5-dimethyl-2-[6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267994
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
CID 43094028
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137275396) is 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is COc1cccc(C(O)CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1.
What is the InChIKey of 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is JCVNKZAIDZAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-13(2)23-19(24-20(12)26)15-7-8-18(21-10-15)22-11-17(25)14-5-4-6-16(9-14)27-3/h4-10,17,25H,11H2,1-3H3,(H,21,22)(H,23,24,26).
What are the key properties of 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 366.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137275396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).