4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H10F3N7 — CID 171597876

IUPAC4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccnc3ccnn23)ncc1C(F)(F)F
InChIInChI=1S/C12H10F3N7/c1-16-10-7(12(13,14)15)6-18-11(21-10)20-9-2-4-17-8-3-5-19-22(8)9/h2-6H,1H3,(H2,16,18,20,21)
InChIKeyQJDOQQFOQZDMSP-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.32
Rot. Bonds3

About 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 171597876) has the molecular formula C12H10F3N7 and a molecular weight of 309.26 g/mol. Its IUPAC name is 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID171597876
Molecular FormulaC12H10F3N7
Molecular Weight309.26 g/mol
Exact Mass309.09
IUPAC Name4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccnc3ccnn23)ncc1C(F)(F)F
InChIInChI=1S/C12H10F3N7/c1-16-10-7(12(13,14)15)6-18-11(21-10)20-9-2-4-17-8-3-5-19-22(8)9/h2-6H,1H3,(H2,16,18,20,21)
InChIKeyQJDOQQFOQZDMSP-UHFFFAOYSA-N
XLogP2.32
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 171597876) is 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2ccnc3ccnn23)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QJDOQQFOQZDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7/c1-16-10-7(12(13,14)15)6-18-11(21-10)20-9-2-4-17-8-3-5-19-22(8)9/h2-6H,1H3,(H2,16,18,20,21).
What are the key properties of 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 309.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-7-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171597876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).