2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine

C15H19N3 — CID 116898451

IUPAC2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1nccc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-15(2,16)10-8-14-17-11-9-13(18-14)12-6-4-3-5-7-12/h3-7,9,11H,8,10,16H2,1-2H3
InChIKeyLORUHTFITRTRMQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine

2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine (PubChem CID 116898451) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
PubChem CID116898451
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1nccc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-15(2,16)10-8-14-17-11-9-13(18-14)12-6-4-3-5-7-12/h3-7,9,11H,8,10,16H2,1-2H3
InChIKeyLORUHTFITRTRMQ-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine (CID 116898451) is 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine is CC(C)(N)CCc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine?
The InChIKey is LORUHTFITRTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,16)10-8-14-17-11-9-13(18-14)12-6-4-3-5-7-12/h3-7,9,11H,8,10,16H2,1-2H3.
What are the key properties of 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine?
2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 116898451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).