6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine

C11H17F3N6 — CID 139314123

IUPAC6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine
SMILESNc1nc(C(F)(F)F)nc(N(N)C2CCCCC2)c1N
InChIInChI=1S/C11H17F3N6/c12-11(13,14)10-18-8(16)7(15)9(19-10)20(17)6-4-2-1-3-5-6/h6H,1-5,15,17H2,(H2,16,18,19)
InChIKeyUZWFQGCTULCRLI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.67
Rot. Bonds2

About 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine

6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine (PubChem CID 139314123) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine
PubChem CID139314123
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Name6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine
SMILESNc1nc(C(F)(F)F)nc(N(N)C2CCCCC2)c1N
InChIInChI=1S/C11H17F3N6/c12-11(13,14)10-18-8(16)7(15)9(19-10)20(17)6-4-2-1-3-5-6/h6H,1-5,15,17H2,(H2,16,18,19)
InChIKeyUZWFQGCTULCRLI-UHFFFAOYSA-N
XLogP1.67
TPSA107.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine (CID 139314123) is 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine is Nc1nc(C(F)(F)F)nc(N(N)C2CCCCC2)c1N.
What is the InChIKey of 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine?
The InChIKey is UZWFQGCTULCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6/c12-11(13,14)10-18-8(16)7(15)9(19-10)20(17)6-4-2-1-3-5-6/h6H,1-5,15,17H2,(H2,16,18,19).
What are the key properties of 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine?
6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine has a molecular weight of 290.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(cyclohexyl)amino]-2-(trifluoromethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 139314123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).