phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol

C19H24N4O — CID 142638878

IUPACphenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol
SMILESOC(c1ccccc1)C1CCC2CN(c3ncccn3)CCN2C1
InChIInChI=1S/C19H24N4O/c24-18(15-5-2-1-3-6-15)16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-18,24H,7-8,11-14H2
InChIKeySBHMTHFCSDFZNO-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.11
Rot. Bonds3

About phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol

phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol (PubChem CID 142638878) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol.

Molecular Properties

Compound Namephenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol
PubChem CID142638878
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Namephenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol
SMILESOC(c1ccccc1)C1CCC2CN(c3ncccn3)CCN2C1
InChIInChI=1S/C19H24N4O/c24-18(15-5-2-1-3-6-15)16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-18,24H,7-8,11-14H2
InChIKeySBHMTHFCSDFZNO-UHFFFAOYSA-N
XLogP2.11
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R,9aS)-7-phenoxy-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 71194912
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540
2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
CID 167752090
1-pyrimidin-2-yl-4-(thian-4-yl)-1,4-diazepan-6-ol
CID 86285738
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
CID 68807143
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(7R,8aS)-7-phenylmethoxy-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171692852

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol?
The IUPAC name of phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol (CID 142638878) is phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol.
What is the SMILES notation for phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol?
The canonical SMILES for phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol is OC(c1ccccc1)C1CCC2CN(c3ncccn3)CCN2C1.
What is the InChIKey of phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol?
The InChIKey is SBHMTHFCSDFZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-18(15-5-2-1-3-6-15)16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-18,24H,7-8,11-14H2.
What are the key properties of phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol?
phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol has a molecular weight of 324.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methanol is sourced from PubChem (CID 142638878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).