3-(5-propan-2-ylpyrimidin-2-yl)aniline

C13H15N3 — CID 105466920

IUPAC3-(5-propan-2-ylpyrimidin-2-yl)aniline
SMILESCC(C)c1cnc(-c2cccc(N)c2)nc1
InChIInChI=1S/C13H15N3/c1-9(2)11-7-15-13(16-8-11)10-4-3-5-12(14)6-10/h3-9H,14H2,1-2H3
InChIKeyHFBPVXQKLZGHAE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.85
Rot. Bonds2

About 3-(5-propan-2-ylpyrimidin-2-yl)aniline

3-(5-propan-2-ylpyrimidin-2-yl)aniline (PubChem CID 105466920) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(5-propan-2-ylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name3-(5-propan-2-ylpyrimidin-2-yl)aniline
PubChem CID105466920
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(5-propan-2-ylpyrimidin-2-yl)aniline
SMILESCC(C)c1cnc(-c2cccc(N)c2)nc1
InChIInChI=1S/C13H15N3/c1-9(2)11-7-15-13(16-8-11)10-4-3-5-12(14)6-10/h3-9H,14H2,1-2H3
InChIKeyHFBPVXQKLZGHAE-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-propan-2-ylphenyl)aniline
CID 28911760
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
CID 55205286
3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
CID 112754962
5-butan-2-yl-2-(3-phenylphenyl)pyrimidine
CID 140847521
1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322025
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
3-(9-methylpurin-2-yl)aniline
CID 157019101
3-(3-aminophenyl)aniline;sulfane
CID 175159845
2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
3-(2-methoxy-1,3-thiazol-5-yl)aniline
CID 130593160

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-ylpyrimidin-2-yl)aniline?
The IUPAC name of 3-(5-propan-2-ylpyrimidin-2-yl)aniline (CID 105466920) is 3-(5-propan-2-ylpyrimidin-2-yl)aniline.
What is the SMILES notation for 3-(5-propan-2-ylpyrimidin-2-yl)aniline?
The canonical SMILES for 3-(5-propan-2-ylpyrimidin-2-yl)aniline is CC(C)c1cnc(-c2cccc(N)c2)nc1.
What is the InChIKey of 3-(5-propan-2-ylpyrimidin-2-yl)aniline?
The InChIKey is HFBPVXQKLZGHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9(2)11-7-15-13(16-8-11)10-4-3-5-12(14)6-10/h3-9H,14H2,1-2H3.
What are the key properties of 3-(5-propan-2-ylpyrimidin-2-yl)aniline?
3-(5-propan-2-ylpyrimidin-2-yl)aniline has a molecular weight of 213.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-ylpyrimidin-2-yl)aniline is sourced from PubChem (CID 105466920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).