4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H15F3N6 — CID 69095779

IUPAC4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(-c2ccnn2C(C)C)c1C(F)(F)F
InChIInChI=1S/C12H15F3N6/c1-6(2)21-7(4-5-18-21)9-8(12(13,14)15)10(17-3)20-11(16)19-9/h4-6H,1-3H3,(H3,16,17,19,20)
InChIKeyYWLGWIQTMCPTJQ-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.56
Rot. Bonds3

About 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69095779) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69095779
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(-c2ccnn2C(C)C)c1C(F)(F)F
InChIInChI=1S/C12H15F3N6/c1-6(2)21-7(4-5-18-21)9-8(12(13,14)15)10(17-3)20-11(16)19-9/h4-6H,1-3H3,(H3,16,17,19,20)
InChIKeyYWLGWIQTMCPTJQ-UHFFFAOYSA-N
XLogP2.56
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69095779) is 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(N)nc(-c2ccnn2C(C)C)c1C(F)(F)F.
What is the InChIKey of 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YWLGWIQTMCPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-6(2)21-7(4-5-18-21)9-8(12(13,14)15)10(17-3)20-11(16)19-9/h4-6H,1-3H3,(H3,16,17,19,20).
What are the key properties of 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69095779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).