6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C12H15N3O3 — CID 66490017

IUPAC6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc2c(cc1C(C)O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H15N3O3/c1-6-8(7(2)16)5-9-10(13-6)14(3)12(18)15(4)11(9)17/h5,7,16H,1-4H3
InChIKeyVUGHEEDRDGFPMQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.01
Rot. Bonds1

About 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 66490017) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID66490017
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc2c(cc1C(C)O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H15N3O3/c1-6-8(7(2)16)5-9-10(13-6)14(3)12(18)15(4)11(9)17/h5,7,16H,1-4H3
InChIKeyVUGHEEDRDGFPMQ-UHFFFAOYSA-N
XLogP-0.01
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
N-(4-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737849
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 97014371
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498793
11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione
CID 10657144
7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 134835130
7-(3-chloro-3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 70482858
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 66490017) is 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1nc2c(cc1C(C)O)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VUGHEEDRDGFPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6-8(7(2)16)5-9-10(13-6)14(3)12(18)15(4)11(9)17/h5,7,16H,1-4H3.
What are the key properties of 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66490017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).