3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione

C20H23N3O3 — CID 118874993

IUPAC3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccccc1-c1cc2c(=O)n(CCCO)c(=O)n(C)c2cn1
InChIInChI=1S/C20H23N3O3/c1-13(2)14-7-4-5-8-15(14)17-11-16-18(12-21-17)22(3)20(26)23(19(16)25)9-6-10-24/h4-5,7-8,11-13,24H,6,9-10H2,1-3H3
InChIKeyAYLPFXDSJWKDFH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.27
Rot. Bonds5

About 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione

3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 118874993) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID118874993
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccccc1-c1cc2c(=O)n(CCCO)c(=O)n(C)c2cn1
InChIInChI=1S/C20H23N3O3/c1-13(2)14-7-4-5-8-15(14)17-11-16-18(12-21-17)22(3)20(26)23(19(16)25)9-6-10-24/h4-5,7-8,11-13,24H,6,9-10H2,1-3H3
InChIKeyAYLPFXDSJWKDFH-UHFFFAOYSA-N
XLogP2.27
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-Methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]-1-(pyridin-3-YL)urea
CID 20924480
6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664394
1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664477
3,9,11-trimethylpyrimido[5',4':3,4]pyrrolo[2,1-a]isoquinoline-10,12(9H,11H)-dione
CID 937357
6-(3-chlorophenyl)-3-(3-hydroxypropyl)-5-isopentyl-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118874990
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875024
3-(3-hydroxypropyl)-5-isopentyl-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875025
6-(4-chlorophenyl)-3-(3-hydroxypropyl)-5-isopentyl-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875317
3-[6-(4-Chlorophenyl)-5-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl]propyl hydrogen carbonate
CID 118886841
2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 15999894
3-(3-hydroxypropyl)-5-isopentyl-6-(2-isopropylphenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875484
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylpropanamide
CID 8027781

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione (CID 118874993) is 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione is CC(C)c1ccccc1-c1cc2c(=O)n(CCCO)c(=O)n(C)c2cn1.
What is the InChIKey of 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is AYLPFXDSJWKDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)14-7-4-5-8-15(14)17-11-16-18(12-21-17)22(3)20(26)23(19(16)25)9-6-10-24/h4-5,7-8,11-13,24H,6,9-10H2,1-3H3.
What are the key properties of 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione?
3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118874993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).