6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C11H17F3N4 — CID 80814944

IUPAC6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C
InChIInChI=1S/C11H17F3N4/c1-7(2)18(5-11(12,13)14)10-8(3)9(15-4)16-6-17-10/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyHGSKWHWPWUPEKR-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.60
Rot. Bonds4

About 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80814944) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80814944
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C
InChIInChI=1S/C11H17F3N4/c1-7(2)18(5-11(12,13)14)10-8(3)9(15-4)16-6-17-10/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyHGSKWHWPWUPEKR-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80814944) is 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CNc1ncnc(N(CC(F)(F)F)C(C)C)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is HGSKWHWPWUPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-7(2)18(5-11(12,13)14)10-8(3)9(15-4)16-6-17-10/h6-7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).