4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one

C8H12N2O3 — CID 103240808

IUPAC4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCCCO)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-6-9-7(12)5-8(10-6)13-4-2-3-11/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyCVEMYLXVGJUZNG-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.16
Rot. Bonds4

About 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one

4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103240808) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103240808
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCCCO)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-6-9-7(12)5-8(10-6)13-4-2-3-11/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyCVEMYLXVGJUZNG-UHFFFAOYSA-N
XLogP-0.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-methyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241927
4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 20674308
4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
CID 23525166
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
CID 68982555
ethane;4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 144474062
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one
CID 14493330

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one (CID 103240808) is 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CVEMYLXVGJUZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-9-7(12)5-8(10-6)13-4-2-3-11/h5,11H,2-4H2,1H3,(H,9,10,12).
What are the key properties of 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one?
4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).