4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C23H31N5O3 — CID 92602732

IUPAC4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)c(=O)n1
InChIInChI=1S/C23H31N5O3/c1-15-13-16(2)27(23(31)24-15)11-6-9-20(29)26-10-4-7-18(14-26)21-17(3)22(30)25-19-8-5-12-28(19)21/h13,18H,4-12,14H2,1-3H3/t18-/m1/s1
InChIKeyXIORXGNNTLAJKF-GOSISDBHSA-N
MW425.53 g/mol
LogP1.86
Rot. Bonds5

About 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92602732) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID92602732
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)c(=O)n1
InChIInChI=1S/C23H31N5O3/c1-15-13-16(2)27(23(31)24-15)11-6-9-20(29)26-10-4-7-18(14-26)21-17(3)22(30)25-19-8-5-12-28(19)21/h13,18H,4-12,14H2,1-3H3/t18-/m1/s1
InChIKeyXIORXGNNTLAJKF-GOSISDBHSA-N
XLogP1.86
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one with MolForge

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Related Compounds

5,5-dimethyl-3-[2-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110217940
3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217928
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 56702577
1-[3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 136765923
5,5-dimethyl-3-[1-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]imidazolidine-2,4-dione
CID 110217942
1-[4-(5-benzyl-1,5-diazacycloundec-1-yl)-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 133066256
4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92588150
1-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95860793
1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 110239747
1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95812324
formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 166599051
2-[4-oxo-4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 55488443

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92602732) is 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)c(=O)n1.
What is the InChIKey of 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is XIORXGNNTLAJKF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-15-13-16(2)27(23(31)24-15)11-6-9-20(29)26-10-4-7-18(14-26)21-17(3)22(30)25-19-8-5-12-28(19)21/h13,18H,4-12,14H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92602732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).