2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine

C12H17FN2O — CID 135194898

IUPAC2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine
SMILESCC(C)(C)c1ncc(F)c(OCC2CC2)n1
InChIInChI=1S/C12H17FN2O/c1-12(2,3)11-14-6-9(13)10(15-11)16-7-8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyOMCGLPCYNRPHCS-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.70
Rot. Bonds3

About 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine

2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine (PubChem CID 135194898) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine
PubChem CID135194898
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine
SMILESCC(C)(C)c1ncc(F)c(OCC2CC2)n1
InChIInChI=1S/C12H17FN2O/c1-12(2,3)11-14-6-9(13)10(15-11)16-7-8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyOMCGLPCYNRPHCS-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
Bis-Pro-5FU
CID 155118873
2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357
2-Propan-2-yloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282358
2-((5-Fluoropyrimidin-4-yl)oxy)-N,N-dimethylethanamine
CID 5151109
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
2,4-Di-tert-butoxy-5-fluoropyrimidine
CID 13061615
2-Methoxy-4-ethoxy-5-fluoropyrimidine
CID 129785473
5-Bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine
CID 130644863

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
The IUPAC name of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine (CID 135194898) is 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine is CC(C)(C)c1ncc(F)c(OCC2CC2)n1.
What is the InChIKey of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
The InChIKey is OMCGLPCYNRPHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2,3)11-14-6-9(13)10(15-11)16-7-8-4-5-8/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine has a molecular weight of 224.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoropyrimidine is sourced from PubChem (CID 135194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).