2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one

C20H21N5O2 — CID 165426094

IUPAC2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H21N5O2/c1-12-15(20(27)24-13(2)23-12)8-18(26)25-9-16(14-6-4-3-5-7-14)19-17(10-25)21-11-22-19/h3-7,11,16H,8-10H2,1-2H3,(H,21,22)(H,23,24,27)
InChIKeyQWTDJCRDRDPWOC-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.83
Rot. Bonds3

About 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one (PubChem CID 165426094) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one
PubChem CID165426094
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H21N5O2/c1-12-15(20(27)24-13(2)23-12)8-18(26)25-9-16(14-6-4-3-5-7-14)19-17(10-25)21-11-22-19/h3-7,11,16H,8-10H2,1-2H3,(H,21,22)(H,23,24,27)
InChIKeyQWTDJCRDRDPWOC-UHFFFAOYSA-N
XLogP1.83
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165418782
2,4-dimethyl-5-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136903624
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692153
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164688938
2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617
2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 164689674
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one (CID 165426094) is 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is QWTDJCRDRDPWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-15(20(27)24-13(2)23-12)8-18(26)25-9-16(14-6-4-3-5-7-14)19-17(10-25)21-11-22-19/h3-7,11,16H,8-10H2,1-2H3,(H,21,22)(H,23,24,27).
What are the key properties of 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 363.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 165426094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).