N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

C13H20N4O2 — CID 103483477

IUPACN-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C13H20N4O2/c1-13(2,3)16-11(18)7-17-8-15-10-6-14-5-4-9(10)12(17)19/h8,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyFFEILMNSPGFABW-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.20
Rot. Bonds2

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

N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483477) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483477
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C13H20N4O2/c1-13(2,3)16-11(18)7-17-8-15-10-6-14-5-4-9(10)12(17)19/h8,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyFFEILMNSPGFABW-UHFFFAOYSA-N
XLogP-0.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride
CID 135741600
tert-butyl 4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 135741723
3-methyl-3H,4H,5H,6H,7H,8H-pyrido(3,4-d)pyrimidin-4-one dihydrochloride
CID 86775360
7-[(2S)-2,3,3-trimethylbutanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 164640445
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480674
5,6,7,8-Tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one
CID 135741601
3-(fluoromethyl)-7-[3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 138665448
3-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83895445
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103483905
7-(4,4,4-trifluorobutanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136100565
5-[2-(2-ethyl-2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4(3H)-one
CID 136052445

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483477) is N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is CC(C)(C)NC(=O)Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is FFEILMNSPGFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)16-11(18)7-17-8-15-10-6-14-5-4-9(10)12(17)19/h8,14H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).