5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine

C15H23ClFN3 — CID 67685896

IUPAC5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine
SMILESCCc1ncnc(N(C2CCCCC2)C(C)(C)F)c1Cl
InChIInChI=1S/C15H23ClFN3/c1-4-12-13(16)14(19-10-18-12)20(15(2,3)17)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyMSEMOAYKOXZPFF-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.54
Rot. Bonds4

About 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine

5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine (PubChem CID 67685896) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine
PubChem CID67685896
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine
SMILESCCc1ncnc(N(C2CCCCC2)C(C)(C)F)c1Cl
InChIInChI=1S/C15H23ClFN3/c1-4-12-13(16)14(19-10-18-12)20(15(2,3)17)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyMSEMOAYKOXZPFF-UHFFFAOYSA-N
XLogP4.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine (CID 67685896) is 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine is CCc1ncnc(N(C2CCCCC2)C(C)(C)F)c1Cl.
What is the InChIKey of 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine?
The InChIKey is MSEMOAYKOXZPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-4-12-13(16)14(19-10-18-12)20(15(2,3)17)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine?
5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine has a molecular weight of 299.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 67685896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).