1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one

C14H17N3O — CID 64538454

IUPAC1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(CN)c2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-11-8-16-14(18)17(9-11)10-13(7-15)12-5-3-2-4-6-12/h2-6,8-9,13H,7,10,15H2,1H3
InChIKeySLTXGYLKSIRUFF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.29
Rot. Bonds4

About 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one

1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one (PubChem CID 64538454) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one
PubChem CID64538454
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(CN)c2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-11-8-16-14(18)17(9-11)10-13(7-15)12-5-3-2-4-6-12/h2-6,8-9,13H,7,10,15H2,1H3
InChIKeySLTXGYLKSIRUFF-UHFFFAOYSA-N
XLogP1.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
(Methyl-2-phenylethyl)urea
CID 21572392
[(2R)-2-benzyl-3-methylbutyl]urea
CID 99826749
5-(2,6-difluorophenyl)-5,6-dihydro-1H-pyrimidin-2-one
CID 151885352
1-Ethyl-3-(2-phenylpent-4-enyl)urea
CID 135072480
1-[[5-(Aminomethyl)-2-fluorophenyl]methyl]-5-methylpyrimidin-2-one
CID 63206274
1-[[2-(Aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one
CID 63289220
1-[[2-(Aminomethyl)-5-fluorophenyl]methyl]-5-methylpyrimidin-2-one
CID 64764464
1-[[3-(Aminomethyl)-2-fluorophenyl]methyl]-5-methylpyrimidin-2-one
CID 107113881
1-[2-Amino-2-(4-fluorophenyl)ethyl]-5-methylpyrimidin-2-one
CID 107522622
1-[2-Amino-2-(3-fluorophenyl)ethyl]-5-methylpyrimidin-2-one
CID 107522624
1-[[3-(Aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one
CID 107878803

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one (CID 64538454) is 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(CN)c2ccccc2)c1.
What is the InChIKey of 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one?
The InChIKey is SLTXGYLKSIRUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-8-16-14(18)17(9-11)10-13(7-15)12-5-3-2-4-6-12/h2-6,8-9,13H,7,10,15H2,1H3.
What are the key properties of 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one?
1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 64538454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).