N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine

C15H19N3 — CID 62756408

IUPACN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C15H19N3/c1-3-7-16-9-13-10-17-15(18-11-13)14-6-4-5-12(2)8-14/h4-6,8,10-11,16H,3,7,9H2,1-2H3
InChIKeyXSAMPGKTBXJMDS-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.95
Rot. Bonds5

About N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 62756408) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID62756408
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C15H19N3/c1-3-7-16-9-13-10-17-15(18-11-13)14-6-4-5-12(2)8-14/h4-6,8,10-11,16H,3,7,9H2,1-2H3
InChIKeyXSAMPGKTBXJMDS-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.95
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-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 46990087
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 46990847
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 46993388
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103399703
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine (CID 62756408) is N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-c2cccc(C)c2)nc1.
What is the InChIKey of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is XSAMPGKTBXJMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-7-16-9-13-10-17-15(18-11-13)14-6-4-5-12(2)8-14/h4-6,8,10-11,16H,3,7,9H2,1-2H3.
What are the key properties of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62756408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).