2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine

C11H17FN2 — CID 155709536

IUPAC2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(C(C)(C)CF)n1
InChIInChI=1S/C11H17FN2/c1-8(2)9-5-6-13-10(14-9)11(3,4)7-12/h5-6,8H,7H2,1-4H3
InChIKeyCYVOGKSUFFKQTR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.85
Rot. Bonds3

About 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine

2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine (PubChem CID 155709536) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine
PubChem CID155709536
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(C(C)(C)CF)n1
InChIInChI=1S/C11H17FN2/c1-8(2)9-5-6-13-10(14-9)11(3,4)7-12/h5-6,8H,7H2,1-4H3
InChIKeyCYVOGKSUFFKQTR-UHFFFAOYSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine (CID 155709536) is 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine is CC(C)c1ccnc(C(C)(C)CF)n1.
What is the InChIKey of 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine?
The InChIKey is CYVOGKSUFFKQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(2)9-5-6-13-10(14-9)11(3,4)7-12/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine?
2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine has a molecular weight of 196.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-methylpropan-2-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 155709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).