[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine

C16H21N3 — CID 123828026

IUPAC[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine
SMILESCCCCc1nccc(-c2ccc(CN)c(C)c2)n1
InChIInChI=1S/C16H21N3/c1-3-4-5-16-18-9-8-15(19-16)13-6-7-14(11-17)12(2)10-13/h6-10H,3-5,11,17H2,1-2H3
InChIKeyPZXOAOJIVAULFH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.25
Rot. Bonds5

About [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine

[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine (PubChem CID 123828026) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine
PubChem CID123828026
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine
SMILESCCCCc1nccc(-c2ccc(CN)c(C)c2)n1
InChIInChI=1S/C16H21N3/c1-3-4-5-16-18-9-8-15(19-16)13-6-7-14(11-17)12(2)10-13/h6-10H,3-5,11,17H2,1-2H3
InChIKeyPZXOAOJIVAULFH-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine?
The IUPAC name of [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine (CID 123828026) is [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine is CCCCc1nccc(-c2ccc(CN)c(C)c2)n1.
What is the InChIKey of [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine?
The InChIKey is PZXOAOJIVAULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-4-5-16-18-9-8-15(19-16)13-6-7-14(11-17)12(2)10-13/h6-10H,3-5,11,17H2,1-2H3.
What are the key properties of [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine?
[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine is sourced from PubChem (CID 123828026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).