4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one

C15H17N3O — CID 135978222

IUPAC4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C15H17N3O/c16-10-12-9-13(19)18-14(17-12)15(7-4-8-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,16H2,(H,17,18,19)
InChIKeyIKHVHZMDCSGAHO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds3

About 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one

4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one (PubChem CID 135978222) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
PubChem CID135978222
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C15H17N3O/c16-10-12-9-13(19)18-14(17-12)15(7-4-8-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,16H2,(H,17,18,19)
InChIKeyIKHVHZMDCSGAHO-UHFFFAOYSA-N
XLogP1.70
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 135978340
4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 135975537
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 63611596
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
5-(bromomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 114205547
2-(1-phenylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475499
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66316774
6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
CID 106481422
2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 55182307
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one (CID 135978222) is 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one is NCc1cc(=O)[nH]c(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is IKHVHZMDCSGAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-10-12-9-13(19)18-14(17-12)15(7-4-8-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,16H2,(H,17,18,19).
What are the key properties of 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).