6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane

C10H16ClF3N4 — CID 143946391

IUPAC6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CNc1nc(NCC(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C8H10ClF3N4.C2H6/c1-4-5(9)15-7(16-6(4)13-2)14-3-8(10,11)12;1-2/h3H2,1-2H3,(H2,13,14,15,16);1-2H3
InChIKeyKLHANFZIWAJOGY-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.48
Rot. Bonds3

About 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane

6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane (PubChem CID 143946391) has the molecular formula C10H16ClF3N4 and a molecular weight of 284.71 g/mol. Its IUPAC name is 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane
PubChem CID143946391
Molecular FormulaC10H16ClF3N4
Molecular Weight284.71 g/mol
Exact Mass284.10
IUPAC Name6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CNc1nc(NCC(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C8H10ClF3N4.C2H6/c1-4-5(9)15-7(16-6(4)13-2)14-3-8(10,11)12;1-2/h3H2,1-2H3,(H2,13,14,15,16);1-2H3
InChIKeyKLHANFZIWAJOGY-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane?
The IUPAC name of 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane (CID 143946391) is 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane is CC.CNc1nc(NCC(F)(F)F)nc(Cl)c1C.
What is the InChIKey of 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane?
The InChIKey is KLHANFZIWAJOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4.C2H6/c1-4-5(9)15-7(16-6(4)13-2)14-3-8(10,11)12;1-2/h3H2,1-2H3,(H2,13,14,15,16);1-2H3.
What are the key properties of 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane?
6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane has a molecular weight of 284.71 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 143946391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).