5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine

C9H15FN2 — CID 121480663

IUPAC5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine
SMILESCC(C)C1N=CC(CF)=CN1C
InChIInChI=1S/C9H15FN2/c1-7(2)9-11-5-8(4-10)6-12(9)3/h5-7,9H,4H2,1-3H3
InChIKeyCQNBVMBLQYGIOB-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.84
Rot. Bonds2

About 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine

5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine (PubChem CID 121480663) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine.

Molecular Properties

Compound Name5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine
PubChem CID121480663
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine
SMILESCC(C)C1N=CC(CF)=CN1C
InChIInChI=1S/C9H15FN2/c1-7(2)9-11-5-8(4-10)6-12(9)3/h5-7,9H,4H2,1-3H3
InChIKeyCQNBVMBLQYGIOB-UHFFFAOYSA-N
XLogP1.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine?
The IUPAC name of 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine (CID 121480663) is 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine.
What is the SMILES notation for 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine?
The canonical SMILES for 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine is CC(C)C1N=CC(CF)=CN1C.
What is the InChIKey of 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine?
The InChIKey is CQNBVMBLQYGIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-7(2)9-11-5-8(4-10)6-12(9)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine?
5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine has a molecular weight of 170.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1-methyl-2-propan-2-yl-2H-pyrimidine is sourced from PubChem (CID 121480663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).