4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile

C7H5F2N3 — CID 90136161

IUPAC4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile
SMILESCc1ncnc(C(F)F)c1C#N
InChIInChI=1S/C7H5F2N3/c1-4-5(2-10)6(7(8)9)12-3-11-4/h3,7H,1H3
InChIKeyFGQDAQXULNNXMW-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.59
Rot. Bonds1

About 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile

4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 90136161) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile
PubChem CID90136161
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile
SMILESCc1ncnc(C(F)F)c1C#N
InChIInChI=1S/C7H5F2N3/c1-4-5(2-10)6(7(8)9)12-3-11-4/h3,7H,1H3
InChIKeyFGQDAQXULNNXMW-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile (CID 90136161) is 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile is Cc1ncnc(C(F)F)c1C#N.
What is the InChIKey of 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is FGQDAQXULNNXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c1-4-5(2-10)6(7(8)9)12-3-11-4/h3,7H,1H3.
What are the key properties of 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile?
4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 169.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 90136161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).