3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine

C16H21N3 — CID 116903207

IUPAC3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1ccc(-c2ccnc(C(CN)C(C)C)n2)cc1
InChIInChI=1S/C16H21N3/c1-11(2)14(10-17)16-18-9-8-15(19-16)13-6-4-12(3)5-7-13/h4-9,11,14H,10,17H2,1-3H3
InChIKeyKCADWIIRXQCRFL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine

3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116903207) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine
PubChem CID116903207
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1ccc(-c2ccnc(C(CN)C(C)C)n2)cc1
InChIInChI=1S/C16H21N3/c1-11(2)14(10-17)16-18-9-8-15(19-16)13-6-4-12(3)5-7-13/h4-9,11,14H,10,17H2,1-3H3
InChIKeyKCADWIIRXQCRFL-UHFFFAOYSA-N
XLogP3.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116903216
2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116903236
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 67473578
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897844
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol
CID 116902239
2-(1-chloroethyl)-4-phenylpyrimidine
CID 80655091
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
1-(4-naphthalen-2-ylpyrimidin-2-yl)ethanamine
CID 116897619
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900942
3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine
CID 116898228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine (CID 116903207) is 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine is Cc1ccc(-c2ccnc(C(CN)C(C)C)n2)cc1.
What is the InChIKey of 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is KCADWIIRXQCRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)14(10-17)16-18-9-8-15(19-16)13-6-4-12(3)5-7-13/h4-9,11,14H,10,17H2,1-3H3.
What are the key properties of 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine?
3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).