6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

C12H19N3O3 — CID 19423338

IUPAC6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)CN(CCCCO)CC2
InChIInChI=1S/C12H19N3O3/c1-14-11(17)9-8-15(5-2-3-7-16)6-4-10(9)13-12(14)18/h16H,2-8H2,1H3,(H,13,18)
InChIKeyGZFMXCGYQBCKPV-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.80
Rot. Bonds4

About 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 19423338) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID19423338
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)CN(CCCCO)CC2
InChIInChI=1S/C12H19N3O3/c1-14-11(17)9-8-15(5-2-3-7-16)6-4-10(9)13-12(14)18/h16H,2-8H2,1H3,(H,13,18)
InChIKeyGZFMXCGYQBCKPV-UHFFFAOYSA-N
XLogP-0.80
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 67372261
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 2150398
2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 112708099
6-[3-(3-methylazetidin-1-yl)propyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 176924730
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propyl 4-fluorobenzoate
CID 122174311
tert-butyl 2,4-dioxo-3-prop-2-ynyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 86663112
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-butylpyrrolidin-3-one
CID 23052762
4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid
CID 118781481
3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 66988333
8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 19423338) is 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c2c(c1=O)CN(CCCCO)CC2.
What is the InChIKey of 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is GZFMXCGYQBCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-11(17)9-8-15(5-2-3-7-16)6-4-10(9)13-12(14)18/h16H,2-8H2,1H3,(H,13,18).
What are the key properties of 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutyl)-3-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 19423338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).