3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine

C15H19N3 — CID 55152744

IUPAC3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
SMILESCC(CCNCc1cncnc1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-13(15-5-3-2-4-6-15)7-8-16-9-14-10-17-12-18-11-14/h2-6,10-13,16H,7-9H2,1H3
InChIKeyQJQXLEOKSFYOLM-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds6

About 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine

3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine (PubChem CID 55152744) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
PubChem CID55152744
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
SMILESCC(CCNCc1cncnc1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-13(15-5-3-2-4-6-15)7-8-16-9-14-10-17-12-18-11-14/h2-6,10-13,16H,7-9H2,1H3
InChIKeyQJQXLEOKSFYOLM-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
CID 63477151
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenylbutan-1-amine
CID 119142083
N-[(3-bromo-5-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 79710629
2-bromo-4-[(3-phenylbutylamino)methyl]phenol
CID 63052634
3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 65021628
1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62759378
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The IUPAC name of 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine (CID 55152744) is 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The canonical SMILES for 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine is CC(CCNCc1cncnc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The InChIKey is QJQXLEOKSFYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-13(15-5-3-2-4-6-15)7-8-16-9-14-10-17-12-18-11-14/h2-6,10-13,16H,7-9H2,1H3.
What are the key properties of 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 55152744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).