4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one

C14H16N2O — CID 136955380

IUPAC4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O/c1-3-4-13-15-12(9-14(17)16-13)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyQRSQPSFIQKXGJC-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one

4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one (PubChem CID 136955380) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
PubChem CID136955380
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O/c1-3-4-13-15-12(9-14(17)16-13)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyQRSQPSFIQKXGJC-UHFFFAOYSA-N
XLogP2.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136770272
2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one
CID 136692372
2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753960
4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136691943
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860
5-(4-methylphenyl)-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 17067688
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
2-(chloromethyl)-4-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 137119595

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one (CID 136955380) is 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccc(C)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
The InChIKey is QRSQPSFIQKXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-4-13-15-12(9-14(17)16-13)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one has a molecular weight of 228.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).