N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide

C20H23N5O4 — CID 45381259

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(OC)c1
InChIInChI=1S/C20H23N5O4/c1-20(10-16(26)25(2)19(21)24-20)12-6-5-7-13(8-12)23-18(27)17-15(29-4)9-14(28-3)11-22-17/h5-9,11H,10H2,1-4H3,(H2,21,24)(H,23,27)
InChIKeyNRIWPLDALNYELG-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.74
Rot. Bonds5

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide (PubChem CID 45381259) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
PubChem CID45381259
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(OC)c1
InChIInChI=1S/C20H23N5O4/c1-20(10-16(26)25(2)19(21)24-20)12-6-5-7-13(8-12)23-18(27)17-15(29-4)9-14(28-3)11-22-17/h5-9,11H,10H2,1-4H3,(H2,21,24)(H,23,27)
InChIKeyNRIWPLDALNYELG-UHFFFAOYSA-N
XLogP1.74
TPSA119.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 70234798
N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
CID 66644173
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 70234150
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 70233635
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
CID 157354109
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide
CID 70233615
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-chloro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 59570577
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-1-methylthiophene-1-carboxamide
CID 66646924
2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazine-2-carboxamide
CID 70234156

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide (CID 45381259) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide is COc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(OC)c1.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide?
The InChIKey is NRIWPLDALNYELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-20(10-16(26)25(2)19(21)24-20)12-6-5-7-13(8-12)23-18(27)17-15(29-4)9-14(28-3)11-22-17/h5-9,11H,10H2,1-4H3,(H2,21,24)(H,23,27).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide is sourced from PubChem (CID 45381259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).