2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H13F3N6 — CID 69093516

IUPAC2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1ccc(Nc2ncc(C(F)(F)F)c(NC)n2)n1
InChIInChI=1S/C11H13F3N6/c1-3-20-5-4-8(19-20)17-10-16-6-7(11(12,13)14)9(15-2)18-10/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCWXRZAQVLAXZEA-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.50
Rot. Bonds4

About 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69093516) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69093516
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1ccc(Nc2ncc(C(F)(F)F)c(NC)n2)n1
InChIInChI=1S/C11H13F3N6/c1-3-20-5-4-8(19-20)17-10-16-6-7(11(12,13)14)9(15-2)18-10/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCWXRZAQVLAXZEA-UHFFFAOYSA-N
XLogP2.50
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69093516) is 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCn1ccc(Nc2ncc(C(F)(F)F)c(NC)n2)n1.
What is the InChIKey of 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is CWXRZAQVLAXZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-3-20-5-4-8(19-20)17-10-16-6-7(11(12,13)14)9(15-2)18-10/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69093516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).