3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine

C15H17N3 — CID 114110664

IUPAC3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
SMILESc1ccc(C2CC(NCc3ccncn3)C2)cc1
InChIInChI=1S/C15H17N3/c1-2-4-12(5-3-1)13-8-15(9-13)17-10-14-6-7-16-11-18-14/h1-7,11,13,15,17H,8-10H2
InChIKeyXGAGKXAJTJRFAJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.51
Rot. Bonds4

About 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine

3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine (PubChem CID 114110664) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
PubChem CID114110664
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
SMILESc1ccc(C2CC(NCc3ccncn3)C2)cc1
InChIInChI=1S/C15H17N3/c1-2-4-12(5-3-1)13-8-15(9-13)17-10-14-6-7-16-11-18-14/h1-7,11,13,15,17H,8-10H2
InChIKeyXGAGKXAJTJRFAJ-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 43632173
3,3-dimethyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
CID 131092034
3-(pyrimidin-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 65066829
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416
1,1-dioxo-N-(pyrimidin-4-ylmethyl)thiolan-3-amine
CID 62760025
3-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64548273
3-(pyrimidin-4-ylmethylamino)piperidin-2-one
CID 62748926
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine (CID 114110664) is 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine is c1ccc(C2CC(NCc3ccncn3)C2)cc1.
What is the InChIKey of 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is XGAGKXAJTJRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-12(5-3-1)13-8-15(9-13)17-10-14-6-7-16-11-18-14/h1-7,11,13,15,17H,8-10H2.
What are the key properties of 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine?
3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 114110664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).