8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

C19H21N5O3 — CID 134810499

IUPAC8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCOc1ccc(-c2cn(C)c(=O)n3cc(CN4CCNC(=O)C4)nc23)cc1
InChIInChI=1S/C19H21N5O3/c1-22-11-16(13-3-5-15(27-2)6-4-13)18-21-14(10-24(18)19(22)26)9-23-8-7-20-17(25)12-23/h3-6,10-11H,7-9,12H2,1-2H3,(H,20,25)
InChIKeyTUFKPJJLDZSMGO-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.64
Rot. Bonds4

About 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 134810499) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID134810499
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCOc1ccc(-c2cn(C)c(=O)n3cc(CN4CCNC(=O)C4)nc23)cc1
InChIInChI=1S/C19H21N5O3/c1-22-11-16(13-3-5-15(27-2)6-4-13)18-21-14(10-24(18)19(22)26)9-23-8-7-20-17(25)12-23/h3-6,10-11H,7-9,12H2,1-2H3,(H,20,25)
InChIKeyTUFKPJJLDZSMGO-UHFFFAOYSA-N
XLogP0.64
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-(2-phenoxyphenyl)imidazo[1,2-c]pyrimidin-5-one
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4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
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4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
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N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one (CID 134810499) is 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one is COc1ccc(-c2cn(C)c(=O)n3cc(CN4CCNC(=O)C4)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is TUFKPJJLDZSMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-22-11-16(13-3-5-15(27-2)6-4-13)18-21-14(10-24(18)19(22)26)9-23-8-7-20-17(25)12-23/h3-6,10-11H,7-9,12H2,1-2H3,(H,20,25).
What are the key properties of 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?
8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 367.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134810499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).