4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile

C10H11F2N3 — CID 118582241

IUPAC4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile
SMILESCc1nc(C(C)C)c(C#N)c(C(F)F)n1
InChIInChI=1S/C10H11F2N3/c1-5(2)8-7(4-13)9(10(11)12)15-6(3)14-8/h5,10H,1-3H3
InChIKeyMKCDKWMMBJGVMT-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.72
Rot. Bonds2

About 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile

4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile (PubChem CID 118582241) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile
PubChem CID118582241
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile
SMILESCc1nc(C(C)C)c(C#N)c(C(F)F)n1
InChIInChI=1S/C10H11F2N3/c1-5(2)8-7(4-13)9(10(11)12)15-6(3)14-8/h5,10H,1-3H3
InChIKeyMKCDKWMMBJGVMT-UHFFFAOYSA-N
XLogP2.72
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile (CID 118582241) is 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile is Cc1nc(C(C)C)c(C#N)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile?
The InChIKey is MKCDKWMMBJGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-5(2)8-7(4-13)9(10(11)12)15-6(3)14-8/h5,10H,1-3H3.
What are the key properties of 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile?
4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile has a molecular weight of 211.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 118582241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).