2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C21H24N4O2 — CID 58449206

IUPAC2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cnc(C(=O)Cc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C)c1
InChIInChI=1S/C21H24N4O2/c1-13-8-14(2)19(23-12-13)17(26)10-15-6-5-7-16(9-15)21(3)11-18(27)25(4)20(22)24-21/h5-9,12H,10-11H2,1-4H3,(H2,22,24)
InChIKeyAKAOMLYYCIMZLZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58449206) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58449206
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cnc(C(=O)Cc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C)c1
InChIInChI=1S/C21H24N4O2/c1-13-8-14(2)19(23-12-13)17(26)10-15-6-5-7-16(9-15)21(3)11-18(27)25(4)20(22)24-21/h5-9,12H,10-11H2,1-4H3,(H2,22,24)
InChIKeyAKAOMLYYCIMZLZ-UHFFFAOYSA-N
XLogP2.52
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Related Compounds

2-amino-3,6-dimethyl-6-[3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58448766
2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58449047
2-amino-6-[3-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448894
2-amino-6-[3-[2-(2-isocyanoimidazo[1,2-a]pyrazin-6-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448560
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-thieno[3,2-b]thiophen-5-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449125
2-amino-6-[3-[2-(3-chloro-1-methylpyrazol-5-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448635
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-quinolin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58448779
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449146
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
CID 45381259
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58449206) is 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is Cc1cnc(C(=O)Cc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C)c1.
What is the InChIKey of 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is AKAOMLYYCIMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-8-14(2)19(23-12-13)17(26)10-15-6-5-7-16(9-15)21(3)11-18(27)25(4)20(22)24-21/h5-9,12H,10-11H2,1-4H3,(H2,22,24).
What are the key properties of 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58449206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).