1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione

C9H14N2O3 — CID 169129164

IUPAC1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(CCO)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O3/c1-6-7(2)11(4-5-12)9(14)10(3)8(6)13/h12H,4-5H2,1-3H3
InChIKeySFEQQMQRSZWTQY-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.84
Rot. Bonds2

About 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione

1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione (PubChem CID 169129164) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione
PubChem CID169129164
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(CCO)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O3/c1-6-7(2)11(4-5-12)9(14)10(3)8(6)13/h12H,4-5H2,1-3H3
InChIKeySFEQQMQRSZWTQY-UHFFFAOYSA-N
XLogP-0.84
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxyethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 252221
1,3-Bis(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2783724
1,2,3,4-Tetrahydro-1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxo-5-pyrimidinecarbonitrile
CID 5282553
1,3-Bis(2-hydroxyethyl)-5-hydroxy-6-methyluracil
CID 129744804
5,6-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione
CID 171814127
1-(2-Hydroxyethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 818132
3-(b-Hydroxyethyl)-1,6-dimethyluracil
CID 12641799
1-Hydroxyethyl-5-hydroxy-3,6-dimethyluracil
CID 129744447
1-(2-Hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
CID 14245095
3-Ethyl-1,5,6-trimethylpyrimidine-2,4-dione
CID 21355392
3-(2-Hydroxyethyl)-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 67779778
2-(Hydroxymethyl)-3-(iodomethyl)-5,6-dimethyl-1,2-dihydropyrimidin-4-one
CID 89802969

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione (CID 169129164) is 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione is Cc1c(C)n(CCO)c(=O)n(C)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione?
The InChIKey is SFEQQMQRSZWTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-7(2)11(4-5-12)9(14)10(3)8(6)13/h12H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione?
1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 169129164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).