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

C12H15F3N6 — CID 67988921

IUPAC2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
InChIInChI=1S/C12H15F3N6/c1-4-21-6-9(7(2)20-21)18-11-17-5-8(12(13,14)15)10(16-3)19-11/h5-6H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZPYKCIFIFZRSDS-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.81
Rot. Bonds4

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

2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 67988921) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID67988921
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
InChIInChI=1S/C12H15F3N6/c1-4-21-6-9(7(2)20-21)18-11-17-5-8(12(13,14)15)10(16-3)19-11/h5-6H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZPYKCIFIFZRSDS-UHFFFAOYSA-N
XLogP2.81
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 67988921) is 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCn1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1.
What is the InChIKey of 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZPYKCIFIFZRSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-4-21-6-9(7(2)20-21)18-11-17-5-8(12(13,14)15)10(16-3)19-11/h5-6H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67988921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).