4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide

C19H19N5O3 — CID 172593638

IUPAC4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCOc1cc(C)c(-n2cnc(N)c(C(=O)Nc3cccnc3)c2=O)c(C)c1
InChIInChI=1S/C19H19N5O3/c1-11-7-14(27-3)8-12(2)16(11)24-10-22-17(20)15(19(24)26)18(25)23-13-5-4-6-21-9-13/h4-10H,20H2,1-3H3,(H,23,25)
InChIKeyJMGAWAAIMKEOCN-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.09
Rot. Bonds4

About 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide

4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 172593638) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID172593638
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCOc1cc(C)c(-n2cnc(N)c(C(=O)Nc3cccnc3)c2=O)c(C)c1
InChIInChI=1S/C19H19N5O3/c1-11-7-14(27-3)8-12(2)16(11)24-10-22-17(20)15(19(24)26)18(25)23-13-5-4-6-21-9-13/h4-10H,20H2,1-3H3,(H,23,25)
InChIKeyJMGAWAAIMKEOCN-UHFFFAOYSA-N
XLogP2.09
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 172594112
4-amino-1-(2-chloro-4-methoxy-6-methylphenyl)-6-oxo-N-(5-propan-2-yl-3-pyridinyl)pyrimidine-5-carboxamide
CID 172593761
methyl 4-[4-amino-6-oxo-5-(pyridin-3-ylcarbamoyl)pyrimidin-1-yl]-3,5-dichlorobenzoate;piperidine
CID 172593941
4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide
CID 172594225
4-amino-N-[5-[(1S)-1-aminoethyl]-3-pyridinyl]-1-(2,6-dichloro-4-methoxyphenyl)-6-oxopyrimidine-5-carboxamide
CID 172593584
4-amino-1-(2,6-dichloro-4-methoxyphenyl)-N-[5-(4-methylazetidin-2-yl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593551
4-amino-N-[5-[(1S)-1-aminoethyl]-3-pyridinyl]-1-[4-[(1R)-1,2-difluoroethyl]-2,6-dimethylphenyl]-6-oxopyrimidine-5-carboxamide
CID 172593772
4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 172593964
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
tert-butyl N-[(1R)-1-[5-[[4-amino-1-[4-(methoxymethyl)-2,6-dimethylphenyl]-6-oxopyrimidine-5-carbonyl]amino]-3-pyridinyl]propyl]carbamate
CID 172594050
2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
CID 6625931
4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593669

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide (CID 172593638) is 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide is COc1cc(C)c(-n2cnc(N)c(C(=O)Nc3cccnc3)c2=O)c(C)c1.
What is the InChIKey of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is JMGAWAAIMKEOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-7-14(27-3)8-12(2)16(11)24-10-22-17(20)15(19(24)26)18(25)23-13-5-4-6-21-9-13/h4-10H,20H2,1-3H3,(H,23,25).
What are the key properties of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 172593638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).