4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine

C10H9F3N4 — CID 39746123

IUPAC4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(-c2cn[nH]c2)c1C
InChIInChI=1S/C10H9F3N4/c1-5-6(2)16-9(10(11,12)13)17-8(5)7-3-14-15-4-7/h3-4H,1-2H3,(H,14,15)
InChIKeyJMZKDSOYSBIAEB-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.50
Rot. Bonds1

About 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine

4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 39746123) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID39746123
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(-c2cn[nH]c2)c1C
InChIInChI=1S/C10H9F3N4/c1-5-6(2)16-9(10(11,12)13)17-8(5)7-3-14-15-4-7/h3-4H,1-2H3,(H,14,15)
InChIKeyJMZKDSOYSBIAEB-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine (CID 39746123) is 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)nc(-c2cn[nH]c2)c1C.
What is the InChIKey of 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is JMZKDSOYSBIAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-5-6(2)16-9(10(11,12)13)17-8(5)7-3-14-15-4-7/h3-4H,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 242.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 39746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).