[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine

C14H17N3 — CID 82473712

IUPAC[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
SMILESCC(C)c1ccc(-c2ccnc(CN)n2)cc1
InChIInChI=1S/C14H17N3/c1-10(2)11-3-5-12(6-4-11)13-7-8-16-14(9-15)17-13/h3-8,10H,9,15H2,1-2H3
InChIKeyVIDAPRNKBGGHLI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.73
Rot. Bonds3

About [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine

[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine (PubChem CID 82473712) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
PubChem CID82473712
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
SMILESCC(C)c1ccc(-c2ccnc(CN)n2)cc1
InChIInChI=1S/C14H17N3/c1-10(2)11-3-5-12(6-4-11)13-7-8-16-14(9-15)17-13/h3-8,10H,9,15H2,1-2H3
InChIKeyVIDAPRNKBGGHLI-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-ylphenyl)pyrimidine-2-carbaldehyde
CID 83918078
4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine
CID 71282614
ethyl 4-[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]benzoate
CID 69230482
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666280
[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116898418
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220
[3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82284911
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 68647705
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 67473578

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine (CID 82473712) is [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine is CC(C)c1ccc(-c2ccnc(CN)n2)cc1.
What is the InChIKey of [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
The InChIKey is VIDAPRNKBGGHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(2)11-3-5-12(6-4-11)13-7-8-16-14(9-15)17-13/h3-8,10H,9,15H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 82473712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).