[2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol

C13H19FN4O — CID 20682338

IUPAC[2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol
SMILESCC1(CO)CC2CN(c3ncc(F)cn3)CCN2C1
InChIInChI=1S/C13H19FN4O/c1-13(9-19)4-11-7-17(2-3-18(11)8-13)12-15-5-10(14)6-16-12/h5-6,11,19H,2-4,7-9H2,1H3
InChIKeyCBQJBMHQOCXIOL-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.51
Rot. Bonds2

About [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol

[2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol (PubChem CID 20682338) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol
PubChem CID20682338
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol
SMILESCC1(CO)CC2CN(c3ncc(F)cn3)CCN2C1
InChIInChI=1S/C13H19FN4O/c1-13(9-19)4-11-7-17(2-3-18(11)8-13)12-15-5-10(14)6-16-12/h5-6,11,19H,2-4,7-9H2,1H3
InChIKeyCBQJBMHQOCXIOL-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol (CID 20682338) is [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol is CC1(CO)CC2CN(c3ncc(F)cn3)CCN2C1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol?
The InChIKey is CBQJBMHQOCXIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-13(9-19)4-11-7-17(2-3-18(11)8-13)12-15-5-10(14)6-16-12/h5-6,11,19H,2-4,7-9H2,1H3.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol?
[2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol has a molecular weight of 266.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-7-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]methanol is sourced from PubChem (CID 20682338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).