4-(5-propan-2-ylpyrimidin-4-yl)aniline

C13H15N3 — CID 83886077

IUPAC4-(5-propan-2-ylpyrimidin-4-yl)aniline
SMILESCC(C)c1cncnc1-c1ccc(N)cc1
InChIInChI=1S/C13H15N3/c1-9(2)12-7-15-8-16-13(12)10-3-5-11(14)6-4-10/h3-9H,14H2,1-2H3
InChIKeySINMUDFEMJCKLK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.85
Rot. Bonds2

About 4-(5-propan-2-ylpyrimidin-4-yl)aniline

4-(5-propan-2-ylpyrimidin-4-yl)aniline (PubChem CID 83886077) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(5-propan-2-ylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name4-(5-propan-2-ylpyrimidin-4-yl)aniline
PubChem CID83886077
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(5-propan-2-ylpyrimidin-4-yl)aniline
SMILESCC(C)c1cncnc1-c1ccc(N)cc1
InChIInChI=1S/C13H15N3/c1-9(2)12-7-15-8-16-13(12)10-3-5-11(14)6-4-10/h3-9H,14H2,1-2H3
InChIKeySINMUDFEMJCKLK-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

4-(1,3-benzodioxol-5-yl)-5-propan-2-ylpyrimidine
CID 146252856
2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 58415693
5-chloro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 105371122
5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine
CID 46831441
1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
CID 70720903
4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline
CID 83887171
5-butan-2-ylpyrimidin-4-amine
CID 176568045
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
4-(methylsulfanylmethyl)-5-propan-2-ylpyrimidine
CID 163886066
5-butan-2-yl-8-propan-2-ylquinazoline
CID 138572874
4-(3-propan-2-yl-5-trimethylsilyl-2-pyridinyl)benzonitrile
CID 140739370

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-ylpyrimidin-4-yl)aniline?
The IUPAC name of 4-(5-propan-2-ylpyrimidin-4-yl)aniline (CID 83886077) is 4-(5-propan-2-ylpyrimidin-4-yl)aniline.
What is the SMILES notation for 4-(5-propan-2-ylpyrimidin-4-yl)aniline?
The canonical SMILES for 4-(5-propan-2-ylpyrimidin-4-yl)aniline is CC(C)c1cncnc1-c1ccc(N)cc1.
What is the InChIKey of 4-(5-propan-2-ylpyrimidin-4-yl)aniline?
The InChIKey is SINMUDFEMJCKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9(2)12-7-15-8-16-13(12)10-3-5-11(14)6-4-10/h3-9H,14H2,1-2H3.
What are the key properties of 4-(5-propan-2-ylpyrimidin-4-yl)aniline?
4-(5-propan-2-ylpyrimidin-4-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 4-(5-propan-2-ylpyrimidin-4-yl)aniline is sourced from PubChem (CID 83886077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).