5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one

C21H24N6O2 — CID 176801067

IUPAC5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one
SMILESCOc1ccc(-c2c[nH]c(=O)c(Nc3ccnc(N4CCN(C)CC4)n3)c2)cc1
InChIInChI=1S/C21H24N6O2/c1-26-9-11-27(12-10-26)21-22-8-7-19(25-21)24-18-13-16(14-23-20(18)28)15-3-5-17(29-2)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyPDZLKHJDPBQZQD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.34
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one

5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one (PubChem CID 176801067) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one
PubChem CID176801067
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one
SMILESCOc1ccc(-c2c[nH]c(=O)c(Nc3ccnc(N4CCN(C)CC4)n3)c2)cc1
InChIInChI=1S/C21H24N6O2/c1-26-9-11-27(12-10-26)21-22-8-7-19(25-21)24-18-13-16(14-23-20(18)28)15-3-5-17(29-2)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyPDZLKHJDPBQZQD-UHFFFAOYSA-N
XLogP2.34
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
CID 169200353
3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
CID 169200496
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 169200687
5-[4-(difluoromethoxy)phenyl]-3-[[2-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidin-4-yl]amino]-1H-pyridin-2-one
CID 176800998
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one (CID 176801067) is 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one is COc1ccc(-c2c[nH]c(=O)c(Nc3ccnc(N4CCN(C)CC4)n3)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one?
The InChIKey is PDZLKHJDPBQZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26-9-11-27(12-10-26)21-22-8-7-19(25-21)24-18-13-16(14-23-20(18)28)15-3-5-17(29-2)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,22,24,25).
What are the key properties of 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one?
5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 176801067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).