ethane;2-fluoro-5-propan-2-ylpyrimidine

C9H15FN2 — CID 178173609

IUPACethane;2-fluoro-5-propan-2-ylpyrimidine
SMILESCC.CC(C)c1cnc(F)nc1
InChIInChI=1S/C7H9FN2.C2H6/c1-5(2)6-3-9-7(8)10-4-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyMZSXTMZDCQSTLB-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.77
Rot. Bonds1

About ethane;2-fluoro-5-propan-2-ylpyrimidine

ethane;2-fluoro-5-propan-2-ylpyrimidine (PubChem CID 178173609) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is ethane;2-fluoro-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;2-fluoro-5-propan-2-ylpyrimidine
PubChem CID178173609
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Nameethane;2-fluoro-5-propan-2-ylpyrimidine
SMILESCC.CC(C)c1cnc(F)nc1
InChIInChI=1S/C7H9FN2.C2H6/c1-5(2)6-3-9-7(8)10-4-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyMZSXTMZDCQSTLB-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
CID 176650900
ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile
CID 145084095
2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159606910
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336
(2-fluoropyrimidin-5-yl)-trimethylstannane
CID 53417054
3,6-di(propan-2-yl)-1,8-naphthyridine
CID 166719717
N-(5-propan-2-ylpyrimidin-2-yl)acetamide
CID 58015222
2-ethenylsulfanyl-5-propan-2-ylpyrimidine
CID 172599739
N-(5-propan-2-ylpyrimidin-2-yl)formamide
CID 130210238
2-(5-propan-2-ylpyrimidin-2-yl)acetonitrile
CID 166553342
7-fluoro-3-propan-2-ylquinoline
CID 118097497

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-propan-2-ylpyrimidine?
The IUPAC name of ethane;2-fluoro-5-propan-2-ylpyrimidine (CID 178173609) is ethane;2-fluoro-5-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;2-fluoro-5-propan-2-ylpyrimidine?
The canonical SMILES for ethane;2-fluoro-5-propan-2-ylpyrimidine is CC.CC(C)c1cnc(F)nc1.
What is the InChIKey of ethane;2-fluoro-5-propan-2-ylpyrimidine?
The InChIKey is MZSXTMZDCQSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2.C2H6/c1-5(2)6-3-9-7(8)10-4-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-5-propan-2-ylpyrimidine?
ethane;2-fluoro-5-propan-2-ylpyrimidine has a molecular weight of 170.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-propan-2-ylpyrimidine is sourced from PubChem (CID 178173609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).