[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol

C14H21FN4O — CID 59047025

IUPAC[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
SMILESCc1nc(N2CCN3C[C@H](CO)CCC3C2)ncc1F
InChIInChI=1S/C14H21FN4O/c1-10-13(15)6-16-14(17-10)19-5-4-18-7-11(9-20)2-3-12(18)8-19/h6,11-12,20H,2-5,7-9H2,1H3/t11-,12?/m1/s1
InChIKeyPHUOIOHUVJFRSA-JHJMLUEUSA-N
MW280.35 g/mol
LogP0.82
Rot. Bonds2

About [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol

[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol (PubChem CID 59047025) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
PubChem CID59047025
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
SMILESCc1nc(N2CCN3C[C@H](CO)CCC3C2)ncc1F
InChIInChI=1S/C14H21FN4O/c1-10-13(15)6-16-14(17-10)19-5-4-18-7-11(9-20)2-3-12(18)8-19/h6,11-12,20H,2-5,7-9H2,1H3/t11-,12?/m1/s1
InChIKeyPHUOIOHUVJFRSA-JHJMLUEUSA-N
XLogP0.82
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol with MolForge

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 20654291
[2-(5-Fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 21997242
(7S,9aS)-7-hydroxymethyl-2-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 54484575
[(7R,9aS)-2-(5-fluoro-2-pyrimidinyl)octahydro-2H-pyrido[1,2-a]pyrazin-7-yl]methanol
CID 54484576
[(7S)-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 58863369
[(7R)-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 59047031
(7R)-2-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 59912614
(7R,9aS)-2-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 71194976
5-Fluoro-2-[7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrimidine-4-carbothialdehyde
CID 87831394
[2-(5-Fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl hypoiodite
CID 141842049
[2-(5-Fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane
CID 154526738
3-{(3R*,4S*)-4-(dimethylamino)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}propan-1-ol
CID 72904170

Frequently Asked Questions

What is the IUPAC name of [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
The IUPAC name of [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol (CID 59047025) is [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol.
What is the SMILES notation for [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
The canonical SMILES for [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol is Cc1nc(N2CCN3C[C@H](CO)CCC3C2)ncc1F.
What is the InChIKey of [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
The InChIKey is PHUOIOHUVJFRSA-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-10-13(15)6-16-14(17-10)19-5-4-18-7-11(9-20)2-3-12(18)8-19/h6,11-12,20H,2-5,7-9H2,1H3/t11-,12?/m1/s1.
What are the key properties of [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol has a molecular weight of 280.35 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol is sourced from PubChem (CID 59047025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).