2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one

C13H15N3O — CID 135465386

IUPAC2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h3-5,7-8H,2,6H2,1H3,(H3,14,15,16,17)
InChIKeyWLMHHPGQNCIVMI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one

2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135465386) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135465386
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h3-5,7-8H,2,6H2,1H3,(H3,14,15,16,17)
InChIKeyWLMHHPGQNCIVMI-UHFFFAOYSA-N
XLogP1.97
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 135413497
CID 135413497
CID 135443077
CID 135443077
CID 135408658
CID 135408658
CID 135421723
CID 135421723
CID 135724997
CID 135724997
CID 135408535
CID 135408535
CID 135418832
CID 135418832
CID 135838221
CID 135838221
CID 135424365
CID 135424365
CID 135441852
CID 135441852
CID 135448367
CID 135448367
CID 135480622
CID 135480622

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one (CID 135465386) is 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(-c2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is WLMHHPGQNCIVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h3-5,7-8H,2,6H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one?
2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135465386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).