2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide

C12H18N4O2 — CID 103483635

IUPAC2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C12H18N4O2/c1-8(2)15-11(17)6-16-7-14-10-5-13-4-3-9(10)12(16)18/h7-8,13H,3-6H2,1-2H3,(H,15,17)
InChIKeyOXURCLGJVIXFNJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.59
Rot. Bonds3

About 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide

2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 103483635) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
PubChem CID103483635
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C12H18N4O2/c1-8(2)15-11(17)6-16-7-14-10-5-13-4-3-9(10)12(16)18/h7-8,13H,3-6H2,1-2H3,(H,15,17)
InChIKeyOXURCLGJVIXFNJ-UHFFFAOYSA-N
XLogP-0.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483585
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483835
3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483608
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
3-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483592
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
3-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483787
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483803
N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide
CID 115357301
2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
CID 46817887
2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62311797
3-[(3-bromophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483539

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide (CID 103483635) is 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is OXURCLGJVIXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)15-11(17)6-16-7-14-10-5-13-4-3-9(10)12(16)18/h7-8,13H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 250.30 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 103483635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).