2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine

C12H14N4O — CID 80653743

IUPAC2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
SMILESCOc1ccc(N(C)c2cnc(N)cn2)cc1
InChIInChI=1S/C12H14N4O/c1-16(12-8-14-11(13)7-15-12)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyZDIPXXVKCPPCRX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.84
Rot. Bonds3

About 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine

2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine (PubChem CID 80653743) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
PubChem CID80653743
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
SMILESCOc1ccc(N(C)c2cnc(N)cn2)cc1
InChIInChI=1S/C12H14N4O/c1-16(12-8-14-11(13)7-15-12)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyZDIPXXVKCPPCRX-UHFFFAOYSA-N
XLogP1.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-2-N-phenylpyrazine-2,5-diamine
CID 80652366
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 110455016
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65337366
5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750864
1,1-bis(4-methoxyphenyl)hydrazine;hydrochloride
CID 20517959
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
2-N-methyl-2-N-propylpyrazine-2,5-diamine
CID 80652247
2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816631
3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80739510

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine (CID 80653743) is 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine is COc1ccc(N(C)c2cnc(N)cn2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine?
The InChIKey is ZDIPXXVKCPPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(12-8-14-11(13)7-15-12)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine?
2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine is sourced from PubChem (CID 80653743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).