2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one

C11H16N2O2 — CID 123439996

IUPAC2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1nc(C2CC2)n(CCO)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)12-10(9-3-4-9)13(5-6-14)11(7)15/h9,14H,3-6H2,1-2H3
InChIKeyBVWRPKBDEAVTEB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.73
Rot. Bonds3

About 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one

2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one (PubChem CID 123439996) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
PubChem CID123439996
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1nc(C2CC2)n(CCO)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)12-10(9-3-4-9)13(5-6-14)11(7)15/h9,14H,3-6H2,1-2H3
InChIKeyBVWRPKBDEAVTEB-UHFFFAOYSA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136737791
3-Ethyl-2-(hydroxymethyl)-5,6-dimethylpyrimidin-4-one
CID 141792047
3-Ethyl-2-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
CID 141792051
3-(2-Hydroxyethyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126857561
2-Cyclopropyl-3-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 126857762
2-cyclopropyl-N,N-bis(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136033621
N,N-bis(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136033622
2-cyclopropyl-N-(2-hydroxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136069206
N-(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-N-propyl-1H-pyrimidine-5-carboxamide
CID 136079224
2-cyclopropyl-N-(2-hydroxyethyl)-4-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 136079226
2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136120423
N-ethyl-N-(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136120424

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one (CID 123439996) is 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one is Cc1nc(C2CC2)n(CCO)c(=O)c1C.
What is the InChIKey of 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
The InChIKey is BVWRPKBDEAVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-8(2)12-10(9-3-4-9)13(5-6-14)11(7)15/h9,14H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 123439996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).