4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline

C17H21N3 — CID 63319227

IUPAC4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline
SMILESCc1cc(C2CCCCC2)nc(-c2ccc(N)cc2)n1
InChIInChI=1S/C17H21N3/c1-12-11-16(13-5-3-2-4-6-13)20-17(19-12)14-7-9-15(18)10-8-14/h7-11,13H,2-6,18H2,1H3
InChIKeyRNRFZAPOUGHPMQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.08
Rot. Bonds2

About 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline

4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline (PubChem CID 63319227) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline
PubChem CID63319227
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline
SMILESCc1cc(C2CCCCC2)nc(-c2ccc(N)cc2)n1
InChIInChI=1S/C17H21N3/c1-12-11-16(13-5-3-2-4-6-13)20-17(19-12)14-7-9-15(18)10-8-14/h7-11,13H,2-6,18H2,1H3
InChIKeyRNRFZAPOUGHPMQ-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.08
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 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline?
The IUPAC name of 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline (CID 63319227) is 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline.
What is the SMILES notation for 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline?
The canonical SMILES for 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline is Cc1cc(C2CCCCC2)nc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline?
The InChIKey is RNRFZAPOUGHPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-11-16(13-5-3-2-4-6-13)20-17(19-12)14-7-9-15(18)10-8-14/h7-11,13H,2-6,18H2,1H3.
What are the key properties of 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline?
4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline has a molecular weight of 267.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline is sourced from PubChem (CID 63319227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).