N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine

C19H22N4O2 — CID 133431137

IUPACN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1ccc(CC(C)CNc2ccc3nccnc3n2)cc1OC
InChIInChI=1S/C19H22N4O2/c1-13(10-14-4-6-16(24-2)17(11-14)25-3)12-22-18-7-5-15-19(23-18)21-9-8-20-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,22,23)
InChIKeyVAFJRFCOBAGMCK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.33
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine

N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 133431137) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID133431137
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1ccc(CC(C)CNc2ccc3nccnc3n2)cc1OC
InChIInChI=1S/C19H22N4O2/c1-13(10-14-4-6-16(24-2)17(11-14)25-3)12-22-18-7-5-15-19(23-18)21-9-8-20-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,22,23)
InChIKeyVAFJRFCOBAGMCK-UHFFFAOYSA-N
XLogP3.33
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133431135
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133431146
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
2-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carbonitrile
CID 133431142
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine (CID 133431137) is N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine is COc1ccc(CC(C)CNc2ccc3nccnc3n2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is VAFJRFCOBAGMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(10-14-4-6-16(24-2)17(11-14)25-3)12-22-18-7-5-15-19(23-18)21-9-8-20-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine?
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 338.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 133431137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).