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

C16H21N3 — CID 116898387

IUPAC3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1ccccc1-c1ccnc(C(C)(C)CCN)n1
InChIInChI=1S/C16H21N3/c1-12-6-4-5-7-13(12)14-8-11-18-15(19-14)16(2,3)9-10-17/h4-8,11H,9-10,17H2,1-3H3
InChIKeyNKITXSAGPAMZJC-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.08
Rot. Bonds4

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

3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116898387) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
PubChem CID116898387
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1ccccc1-c1ccnc(C(C)(C)CCN)n1
InChIInChI=1S/C16H21N3/c1-12-6-4-5-7-13(12)14-8-11-18-15(19-14)16(2,3)9-10-17/h4-8,11H,9-10,17H2,1-3H3
InChIKeyNKITXSAGPAMZJC-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116893087
3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116898394
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898542
2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897983
4-(2-methylphenyl)-2-methylsulfanylpyrimidine
CID 71185326
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900149
[6-(2-methylphenyl)-2-pyridinyl]methanamine
CID 82505844
3-[4-(2-bromophenyl)pyrimidin-2-yl]-3-methylbutanoic acid
CID 116900012
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897645
3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116893092
3-amino-3-[4-(2-methylphenyl)pyrimidin-2-yl]propanoic acid
CID 116902337
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine (CID 116898387) is 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine is Cc1ccccc1-c1ccnc(C(C)(C)CCN)n1.
What is the InChIKey of 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is NKITXSAGPAMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-4-5-7-13(12)14-8-11-18-15(19-14)16(2,3)9-10-17/h4-8,11H,9-10,17H2,1-3H3.
What are the key properties of 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116898387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).