6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H15F3N6 — CID 106771158

IUPAC6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)Cn2cccn2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N6/c1-8(7-21-5-3-4-17-21)18-10-6-9(16-2)19-11(20-10)12(13,14)15/h3-6,8H,7H2,1-2H3,(H2,16,18,19,20)
InChIKeyCQUHMZNERIIRRE-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.23
Rot. Bonds5

About 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771158) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771158
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)Cn2cccn2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N6/c1-8(7-21-5-3-4-17-21)18-10-6-9(16-2)19-11(20-10)12(13,14)15/h3-6,8H,7H2,1-2H3,(H2,16,18,19,20)
InChIKeyCQUHMZNERIIRRE-UHFFFAOYSA-N
XLogP2.23
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771158) is 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NC(C)Cn2cccn2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is CQUHMZNERIIRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-8(7-21-5-3-4-17-21)18-10-6-9(16-2)19-11(20-10)12(13,14)15/h3-6,8H,7H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 300.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).