4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine

C11H15ClF3N5 — CID 134299813

IUPAC4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1c(Cl)nc(C(F)(F)F)nc1N(N)C1CCCCC1
InChIInChI=1S/C11H15ClF3N5/c12-8-7(16)9(19-10(18-8)11(13,14)15)20(17)6-4-2-1-3-5-6/h6H,1-5,16-17H2
InChIKeyQGSVNBXDRBGTOY-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.74
Rot. Bonds2

About 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine

4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 134299813) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID134299813
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1c(Cl)nc(C(F)(F)F)nc1N(N)C1CCCCC1
InChIInChI=1S/C11H15ClF3N5/c12-8-7(16)9(19-10(18-8)11(13,14)15)20(17)6-4-2-1-3-5-6/h6H,1-5,16-17H2
InChIKeyQGSVNBXDRBGTOY-UHFFFAOYSA-N
XLogP2.74
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine (CID 134299813) is 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine is Nc1c(Cl)nc(C(F)(F)F)nc1N(N)C1CCCCC1.
What is the InChIKey of 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is QGSVNBXDRBGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N5/c12-8-7(16)9(19-10(18-8)11(13,14)15)20(17)6-4-2-1-3-5-6/h6H,1-5,16-17H2.
What are the key properties of 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine?
4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 309.72 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclohexyl)amino]-6-chloro-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 134299813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).