6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine

C12H14ClF3N4 — CID 134299789

IUPAC6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
SMILES[H]/N=C(/c1c(Cl)ncnc1NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H14ClF3N4/c13-10-8(9(17)12(14,15)16)11(19-6-18-10)20-7-4-2-1-3-5-7/h6-7,17H,1-5H2,(H,18,19,20)/b17-9-
InChIKeyOHSYRNSFDXZPHI-MFOYZWKCSA-N
MW306.72 g/mol
LogP3.80
Rot. Bonds3

About 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine

6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine (PubChem CID 134299789) has the molecular formula C12H14ClF3N4 and a molecular weight of 306.72 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
PubChem CID134299789
Molecular FormulaC12H14ClF3N4
Molecular Weight306.72 g/mol
Exact Mass306.09
IUPAC Name6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
SMILES[H]/N=C(/c1c(Cl)ncnc1NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H14ClF3N4/c13-10-8(9(17)12(14,15)16)11(19-6-18-10)20-7-4-2-1-3-5-7/h6-7,17H,1-5H2,(H,18,19,20)/b17-9-
InChIKeyOHSYRNSFDXZPHI-MFOYZWKCSA-N
XLogP3.80
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine (CID 134299789) is 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine is [H]/N=C(/c1c(Cl)ncnc1NC1CCCCC1)C(F)(F)F.
What is the InChIKey of 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
The InChIKey is OHSYRNSFDXZPHI-MFOYZWKCSA-N. The full InChI is InChI=1S/C12H14ClF3N4/c13-10-8(9(17)12(14,15)16)11(19-6-18-10)20-7-4-2-1-3-5-7/h6-7,17H,1-5H2,(H,18,19,20)/b17-9-.
What are the key properties of 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine has a molecular weight of 306.72 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine is sourced from PubChem (CID 134299789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).