3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline

C16H19N3 — CID 63319330

IUPAC3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline
SMILESCCCc1cc(C2CC2)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C16H19N3/c1-2-4-14-10-15(11-7-8-11)19-16(18-14)12-5-3-6-13(17)9-12/h3,5-6,9-11H,2,4,7-8,17H2,1H3
InChIKeyCKSSHSRLMYAORY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.56
Rot. Bonds4

About 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline

3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline (PubChem CID 63319330) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline
PubChem CID63319330
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline
SMILESCCCc1cc(C2CC2)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C16H19N3/c1-2-4-14-10-15(11-7-8-11)19-16(18-14)12-5-3-6-13(17)9-12/h3,5-6,9-11H,2,4,7-8,17H2,1H3
InChIKeyCKSSHSRLMYAORY-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline?
The IUPAC name of 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline (CID 63319330) is 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline.
What is the SMILES notation for 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline?
The canonical SMILES for 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline is CCCc1cc(C2CC2)nc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline?
The InChIKey is CKSSHSRLMYAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-4-14-10-15(11-7-8-11)19-16(18-14)12-5-3-6-13(17)9-12/h3,5-6,9-11H,2,4,7-8,17H2,1H3.
What are the key properties of 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline?
3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline has a molecular weight of 253.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline is sourced from PubChem (CID 63319330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).