N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine

C13H15N3O2 — CID 60966861

IUPACN-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
SMILESCOc1ccc(CNc2cnccn2)c(OC)c1
InChIInChI=1S/C13H15N3O2/c1-17-11-4-3-10(12(7-11)18-2)8-16-13-9-14-5-6-15-13/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyVPCJRLQTDXCLRB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.11
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine (PubChem CID 60966861) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
PubChem CID60966861
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
SMILESCOc1ccc(CNc2cnccn2)c(OC)c1
InChIInChI=1S/C13H15N3O2/c1-17-11-4-3-10(12(7-11)18-2)8-16-13-9-14-5-6-15-13/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyVPCJRLQTDXCLRB-UHFFFAOYSA-N
XLogP2.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine
CID 134712219
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
CID 66652908
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine (CID 60966861) is N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine is COc1ccc(CNc2cnccn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
The InChIKey is VPCJRLQTDXCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-11-4-3-10(12(7-11)18-2)8-16-13-9-14-5-6-15-13/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 60966861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).