[4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol

C12H14F2N4O — CID 154742254

IUPAC[4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1Cc1cn2cccnc2n1
InChIInChI=1S/C12H14F2N4O/c13-12(14)4-10(7-19)18(8-12)6-9-5-17-3-1-2-15-11(17)16-9/h1-3,5,10,19H,4,6-8H2
InChIKeyVMIAZWWMMICHHA-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.93
Rot. Bonds3

About [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol

[4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 154742254) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID154742254
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name[4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1Cc1cn2cccnc2n1
InChIInChI=1S/C12H14F2N4O/c13-12(14)4-10(7-19)18(8-12)6-9-5-17-3-1-2-15-11(17)16-9/h1-3,5,10,19H,4,6-8H2
InChIKeyVMIAZWWMMICHHA-UHFFFAOYSA-N
XLogP0.93
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 154742254) is [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol is OCC1CC(F)(F)CN1Cc1cn2cccnc2n1.
What is the InChIKey of [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is VMIAZWWMMICHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c13-12(14)4-10(7-19)18(8-12)6-9-5-17-3-1-2-15-11(17)16-9/h1-3,5,10,19H,4,6-8H2.
What are the key properties of [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
[4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 268.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154742254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).