N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine

C15H19N3 — CID 46785106

IUPACN-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-2-3-10-16-12-14-9-11-17-15(18-14)13-7-5-4-6-8-13/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyYOHOGCPIBZDSOI-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.03
Rot. Bonds6

About N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine

N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine (PubChem CID 46785106) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
PubChem CID46785106
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-2-3-10-16-12-14-9-11-17-15(18-14)13-7-5-4-6-8-13/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyYOHOGCPIBZDSOI-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine (CID 46785106) is N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine is CCCCNCc1ccnc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine?
The InChIKey is YOHOGCPIBZDSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-3-10-16-12-14-9-11-17-15(18-14)13-7-5-4-6-8-13/h4-9,11,16H,2-3,10,12H2,1H3.
What are the key properties of N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine?
N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 46785106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).