5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one

C13H18N4O2 — CID 137005359

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCCCn1nccc1-c1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C13H18N4O2/c1-3-7-17-11(4-6-14-17)12-15-9(2)10(5-8-18)13(19)16-12/h4,6,18H,3,5,7-8H2,1-2H3,(H,15,16,19)
InChIKeyJEQIJPLFFAAEMX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.89
Rot. Bonds5

About 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005359) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005359
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCCCn1nccc1-c1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C13H18N4O2/c1-3-7-17-11(4-6-14-17)12-15-9(2)10(5-8-18)13(19)16-12/h4,6,18H,3,5,7-8H2,1-2H3,(H,15,16,19)
InChIKeyJEQIJPLFFAAEMX-UHFFFAOYSA-N
XLogP0.89
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311
2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 137005366
5-(2-hydroxyethyl)-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877721
2-(2-ethylpyrazol-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 114556573
2-(3-chloro-2-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136987469
2-(2-bromo-5-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136889822
5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930684
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136917806
2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135736976
2-(4-butylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612055
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005359) is 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one is CCCn1nccc1-c1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is JEQIJPLFFAAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-7-17-11(4-6-14-17)12-15-9(2)10(5-8-18)13(19)16-12/h4,6,18H,3,5,7-8H2,1-2H3,(H,15,16,19).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 262.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).