3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C25H33N3O3 — CID 118875484

IUPAC3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(-c2ccccc2C(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C25H33N3O3/c1-16(2)11-12-20-21(19-10-7-6-9-18(19)17(3)4)15-26-23-22(20)24(30)28(13-8-14-29)25(31)27(23)5/h6-7,9-10,15-17,29H,8,11-14H2,1-5H3
InChIKeyDLCPODWJCYQZPQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.86
Rot. Bonds8

About 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118875484) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118875484
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(-c2ccccc2C(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C25H33N3O3/c1-16(2)11-12-20-21(19-10-7-6-9-18(19)17(3)4)15-26-23-22(20)24(30)28(13-8-14-29)25(31)27(23)5/h6-7,9-10,15-17,29H,8,11-14H2,1-5H3
InChIKeyDLCPODWJCYQZPQ-UHFFFAOYSA-N
XLogP3.86
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-Dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10066905
3-Benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10451222
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
2-[7-Amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile
CID 11544575
3-Benzyl-5-(2-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 44371024
1-Methyl-3-benzyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 44371049
3-Benzyl-1-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 44371184
3-(3-hydroxypropyl)-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118874993
3-(3-hydroxypropyl)-5-isopentyl-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875025
8-Amino-2-cyclohexyl-5-(4-methylphenyl)-3,4-dihydro-2,7-naphthyridin-1-one
CID 168283168
8-amino-2-(4-hydroxycyclohexyl)-5-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
CID 168288427
8-amino-2-(4-methylcyclohexyl)-5-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
CID 168296398

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 118875484) is 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)CCc1c(-c2ccccc2C(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DLCPODWJCYQZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-16(2)11-12-20-21(19-10-7-6-9-18(19)17(3)4)15-26-23-22(20)24(30)28(13-8-14-29)25(31)27(23)5/h6-7,9-10,15-17,29H,8,11-14H2,1-5H3.
What are the key properties of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 423.56 g/mol, XLogP of 3.86, 8 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-5-(3-methylbutyl)-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118875484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).