4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine

C24H29N3O2 — CID 141381138

IUPAC4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine
SMILESCOc1ccc(C2=CCN3C=C(C4=CCC(N(C)C)CC4)C=CC3=N2)cc1OC
InChIInChI=1S/C24H29N3O2/c1-26(2)20-9-5-17(6-10-20)19-8-12-24-25-21(13-14-27(24)16-19)18-7-11-22(28-3)23(15-18)29-4/h5,7-8,11-13,15-16,20H,6,9-10,14H2,1-4H3
InChIKeyKRTAIKOOWHWAOS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.25
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine

4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 141381138) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine
PubChem CID141381138
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine
SMILESCOc1ccc(C2=CCN3C=C(C4=CCC(N(C)C)CC4)C=CC3=N2)cc1OC
InChIInChI=1S/C24H29N3O2/c1-26(2)20-9-5-17(6-10-20)19-8-12-24-25-21(13-14-27(24)16-19)18-7-11-22(28-3)23(15-18)29-4/h5,7-8,11-13,15-16,20H,6,9-10,14H2,1-4H3
InChIKeyKRTAIKOOWHWAOS-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)cyclohexen-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123342566
2-(3,4-dimethoxyphenyl)-7-[4-(dimethylamino)cyclohexen-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885475
4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 142398522
2-[4-[4-cyclobutylidene-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 142511051
6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine
CID 118495829
7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 123613803
2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 172712307
2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
CID 118227272
(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 129387312
4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642
cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 155513128
8-(3,4-dimethoxyphenyl)-9-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123498856

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine (CID 141381138) is 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine is COc1ccc(C2=CCN3C=C(C4=CCC(N(C)C)CC4)C=CC3=N2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine?
The InChIKey is KRTAIKOOWHWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-26(2)20-9-5-17(6-10-20)19-8-12-24-25-21(13-14-27(24)16-19)18-7-11-22(28-3)23(15-18)29-4/h5,7-8,11-13,15-16,20H,6,9-10,14H2,1-4H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine?
4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 391.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 141381138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).