2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one

C11H12N4O — CID 136692372

IUPAC2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cncnc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-2-3-10-14-9(4-11(16)15-10)8-5-12-7-13-6-8/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyQDFJZARBJSSWMZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.18
Rot. Bonds3

About 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one

2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one (PubChem CID 136692372) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one
PubChem CID136692372
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cncnc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-2-3-10-14-9(4-11(16)15-10)8-5-12-7-13-6-8/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyQDFJZARBJSSWMZ-UHFFFAOYSA-N
XLogP1.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753960
4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136770272
4-pyrimidin-5-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000861
4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136691943
6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid
CID 135741778
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one (CID 136692372) is 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one is CCCc1nc(-c2cncnc2)cc(=O)[nH]1.
What is the InChIKey of 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one?
The InChIKey is QDFJZARBJSSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-3-10-14-9(4-11(16)15-10)8-5-12-7-13-6-8/h4-7H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one?
2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).