2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C12H17FN4 — CID 176692456

IUPAC2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2c1ncc(F)cn1
InChIInChI=1S/C12H17FN4/c1-8(2)16-6-11-3-10(16)7-17(11)12-14-4-9(13)5-15-12/h4-5,8,10-11H,3,6-7H2,1-2H3
InChIKeyKCZFFOYQZQSSKC-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.29
Rot. Bonds2

About 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 176692456) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID176692456
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2c1ncc(F)cn1
InChIInChI=1S/C12H17FN4/c1-8(2)16-6-11-3-10(16)7-17(11)12-14-4-9(13)5-15-12/h4-5,8,10-11H,3,6-7H2,1-2H3
InChIKeyKCZFFOYQZQSSKC-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 177116422
(1S,4S)-2-benzyl-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 126829182
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 90850246
8-[5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650671
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine
CID 130611542
2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 16639637
(1S,4S)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 170155617
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 104606614
5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 71100553
3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 158374679

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 176692456) is 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2CC1CN2c1ncc(F)cn1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is KCZFFOYQZQSSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4/c1-8(2)16-6-11-3-10(16)7-17(11)12-14-4-9(13)5-15-12/h4-5,8,10-11H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 236.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 176692456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).