N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine

C16H21N3 — CID 79008069

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccnc(C)n1
InChIInChI=1S/C16H21N3/c1-3-15(11-14-7-5-4-6-8-14)18-12-16-9-10-17-13(2)19-16/h4-10,15,18H,3,11-12H2,1-2H3
InChIKeyXRVDEDOGEPQBOS-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.90
Rot. Bonds6

About N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine

N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine (PubChem CID 79008069) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
PubChem CID79008069
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccnc(C)n1
InChIInChI=1S/C16H21N3/c1-3-15(11-14-7-5-4-6-8-14)18-12-16-9-10-17-13(2)19-16/h4-10,15,18H,3,11-12H2,1-2H3
InChIKeyXRVDEDOGEPQBOS-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79007946
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79008418
1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine
CID 82710120
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
CID 61017076
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
CID 104787618
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 78924574
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
N-[(2-methylpyrimidin-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61015866
3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
CID 61015669
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
CID 103241040
4-(2-bromobutyl)-2-methylpyrimidine
CID 63203331

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine (CID 79008069) is N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCc1ccnc(C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine?
The InChIKey is XRVDEDOGEPQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-15(11-14-7-5-4-6-8-14)18-12-16-9-10-17-13(2)19-16/h4-10,15,18H,3,11-12H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 79008069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).