4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine

C15H20N2O — CID 101087252

IUPAC4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
SMILESCOc1ccc(C2C=NCN3CCCCC23)cc1
InChIInChI=1S/C15H20N2O/c1-18-13-7-5-12(6-8-13)14-10-16-11-17-9-3-2-4-15(14)17/h5-8,10,14-15H,2-4,9,11H2,1H3
InChIKeyVXMHEAPAKUWHCF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.68
Rot. Bonds2

About 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine

4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine (PubChem CID 101087252) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
PubChem CID101087252
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
SMILESCOc1ccc(C2C=NCN3CCCCC23)cc1
InChIInChI=1S/C15H20N2O/c1-18-13-7-5-12(6-8-13)14-10-16-11-17-9-3-2-4-15(14)17/h5-8,10,14-15H,2-4,9,11H2,1H3
InChIKeyVXMHEAPAKUWHCF-UHFFFAOYSA-N
XLogP2.68
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole
CID 163039581
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(3R)-1-chloro-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole
CID 139505468
(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036125
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide
CID 21126912
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane
CID 18288296
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine (CID 101087252) is 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine is COc1ccc(C2C=NCN3CCCCC23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
The InChIKey is VXMHEAPAKUWHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-13-7-5-12(6-8-13)14-10-16-11-17-9-3-2-4-15(14)17/h5-8,10,14-15H,2-4,9,11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 101087252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).