4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one

C10H16N2O2 — CID 46734450

IUPAC4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one
SMILESCCCc1nc(O)c(CCC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-7-9(13)11-8(6-4-2)12-10(7)14/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeySMSFDVHVAFWPNY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.38
Rot. Bonds4

About 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one

4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one (PubChem CID 46734450) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one
PubChem CID46734450
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one
SMILESCCCc1nc(O)c(CCC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-7-9(13)11-8(6-4-2)12-10(7)14/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeySMSFDVHVAFWPNY-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-amino-5-butyl-2-methyl-
CID 135854955
4-Pyrimidinol, 6-amino-2-methyl-5-octyl-
CID 135854959
4-Pyrimidinol, 6-amino-2-methyl-5-pentyl-
CID 135854960
4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612110
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612957
5-ethyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954408
4-hydroxy-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954409
4-hydroxy-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146611
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113780657
4-amino-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136077669

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one (CID 46734450) is 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one is CCCc1nc(O)c(CCC)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one?
The InChIKey is SMSFDVHVAFWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-7-9(13)11-8(6-4-2)12-10(7)14/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one?
4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 46734450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).