1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one

C19H20N4O2 — CID 136567066

IUPAC1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCC(=O)N2CCCC21
InChIInChI=1S/C19H20N4O2/c1-13-15(12-20-18(21-13)14-6-3-2-4-7-14)19(25)23-11-9-17(24)22-10-5-8-16(22)23/h2-4,6-7,12,16H,5,8-11H2,1H3
InChIKeyVTEKPLSKDMODGS-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.25
Rot. Bonds2

About 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one

1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 136567066) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
PubChem CID136567066
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCC(=O)N2CCCC21
InChIInChI=1S/C19H20N4O2/c1-13-15(12-20-18(21-13)14-6-3-2-4-7-14)19(25)23-11-9-17(24)22-10-5-8-16(22)23/h2-4,6-7,12,16H,5,8-11H2,1H3
InChIKeyVTEKPLSKDMODGS-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
CID 70777651
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
(1S,5R)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 155497797
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one (CID 136567066) is 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one is Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(=O)N2CCCC21.
What is the InChIKey of 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is VTEKPLSKDMODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-15(12-20-18(21-13)14-6-3-2-4-7-14)19(25)23-11-9-17(24)22-10-5-8-16(22)23/h2-4,6-7,12,16H,5,8-11H2,1H3.
What are the key properties of 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 336.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136567066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).