N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

C13H20N4O3 — CID 103483496

IUPACN-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C13H20N4O3/c1-9(7-20-2)16-12(18)6-17-8-15-11-5-14-4-3-10(11)13(17)19/h8-9,14H,3-7H2,1-2H3,(H,16,18)
InChIKeyIMWUNRSXFMRJSQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.96
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483496) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483496
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C13H20N4O3/c1-9(7-20-2)16-12(18)6-17-8-15-11-5-14-4-3-10(11)13(17)19/h8-9,14H,3-7H2,1-2H3,(H,16,18)
InChIKeyIMWUNRSXFMRJSQ-UHFFFAOYSA-N
XLogP-0.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483902
7-(2-propoxypropanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112902
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
Butyl 4-hydroxy-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 137198209
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480675
3-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480676
3-Propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83878477
3-(2-Methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619779
3-(2-Hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483474
N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483475

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483496) is N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is COCC(C)NC(=O)Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is IMWUNRSXFMRJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(7-20-2)16-12(18)6-17-8-15-11-5-14-4-3-10(11)13(17)19/h8-9,14H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).