2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine

C20H26N4O3 — CID 143250214

IUPAC2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
SMILESC/C=C\C(=C/CC)Nc1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C20H26N4O3/c1-6-8-14(9-7-2)22-18-12-21-13-19(24-18)23-15-10-16(25-3)20(27-5)17(11-15)26-4/h6,8-13H,7H2,1-5H3,(H2,22,23,24)/b8-6-,14-9+
InChIKeyPRWFCZJCVMPPSD-CURXYISGSA-N
MW370.45 g/mol
LogP4.53
Rot. Bonds9

About 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine

2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine (PubChem CID 143250214) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
PubChem CID143250214
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
SMILESC/C=C\C(=C/CC)Nc1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C20H26N4O3/c1-6-8-14(9-7-2)22-18-12-21-13-19(24-18)23-15-10-16(25-3)20(27-5)17(11-15)26-4/h6,8-13H,7H2,1-5H3,(H2,22,23,24)/b8-6-,14-9+
InChIKeyPRWFCZJCVMPPSD-CURXYISGSA-N
XLogP4.53
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 146511671
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 143250191
2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112876701
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415
2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
CID 113050576

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine (CID 143250214) is 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine is C/C=C\C(=C/CC)Nc1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
The InChIKey is PRWFCZJCVMPPSD-CURXYISGSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-6-8-14(9-7-2)22-18-12-21-13-19(24-18)23-15-10-16(25-3)20(27-5)17(11-15)26-4/h6,8-13H,7H2,1-5H3,(H2,22,23,24)/b8-6-,14-9+.
What are the key properties of 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine has a molecular weight of 370.45 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 143250214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).