2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H13F3N4 — CID 118905557

IUPAC2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C11H13F3N4/c12-11(13,14)7-8(5-1-2-5)17-10(18-9(7)15)16-6-3-4-6/h5-6H,1-4H2,(H3,15,16,17,18)
InChIKeyQGFHWNOITCANFP-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.53
Rot. Bonds3

About 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905557) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905557
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C11H13F3N4/c12-11(13,14)7-8(5-1-2-5)17-10(18-9(7)15)16-6-3-4-6/h5-6H,1-4H2,(H3,15,16,17,18)
InChIKeyQGFHWNOITCANFP-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905557) is 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NC2CC2)nc(C2CC2)c1C(F)(F)F.
What is the InChIKey of 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QGFHWNOITCANFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)7-8(5-1-2-5)17-10(18-9(7)15)16-6-3-4-6/h5-6H,1-4H2,(H3,15,16,17,18).
What are the key properties of 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 258.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).