4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine

C15H19N3 — CID 62760223

IUPAC4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccncn1
InChIInChI=1S/C15H19N3/c1-13(7-8-14-5-3-2-4-6-14)17-11-15-9-10-16-12-18-15/h2-6,9-10,12-13,17H,7-8,11H2,1H3
InChIKeyXIIOEGRXNTYDEE-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.59
Rot. Bonds6

About 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine

4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine (PubChem CID 62760223) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
PubChem CID62760223
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccncn1
InChIInChI=1S/C15H19N3/c1-13(7-8-14-5-3-2-4-6-14)17-11-15-9-10-16-12-18-15/h2-6,9-10,12-13,17H,7-8,11H2,1H3
InChIKeyXIIOEGRXNTYDEE-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
N-[(1-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 62757202
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 79253689
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine?
The IUPAC name of 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine (CID 62760223) is 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine?
The canonical SMILES for 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine is CC(CCc1ccccc1)NCc1ccncn1.
What is the InChIKey of 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine?
The InChIKey is XIIOEGRXNTYDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-13(7-8-14-5-3-2-4-6-14)17-11-15-9-10-16-12-18-15/h2-6,9-10,12-13,17H,7-8,11H2,1H3.
What are the key properties of 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine?
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 62760223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).