6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine

C23H23N7 — CID 59099570

IUPAC6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine
SMILESC=C(NCc1ccccn1)c1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C23H23N7/c1-15(27-14-19-4-2-3-11-26-19)17-7-5-16(6-8-17)13-28-18-9-10-21-20(12-18)22(24)30-23(25)29-21/h2-12,27-28H,1,13-14H2,(H4,24,25,29,30)
InChIKeyXBAFAFYZTGCYQR-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.56
Rot. Bonds7

About 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine

6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine (PubChem CID 59099570) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine
PubChem CID59099570
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine
SMILESC=C(NCc1ccccn1)c1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C23H23N7/c1-15(27-14-19-4-2-3-11-26-19)17-7-5-16(6-8-17)13-28-18-9-10-21-20(12-18)22(24)30-23(25)29-21/h2-12,27-28H,1,13-14H2,(H4,24,25,29,30)
InChIKeyXBAFAFYZTGCYQR-UHFFFAOYSA-N
XLogP3.56
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine with MolForge

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Related Compounds

6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine
CID 142929001
2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol
CID 86107032
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
dimethyl (2R)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 44570511
diethyl (2S)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 90672045
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520955
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
N-(2-aminophenyl)-4-[[6-(pyridin-2-ylmethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide
CID 10300469
2-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 81272878

Frequently Asked Questions

What is the IUPAC name of 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine?
The IUPAC name of 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine (CID 59099570) is 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine is C=C(NCc1ccccn1)c1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1.
What is the InChIKey of 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine?
The InChIKey is XBAFAFYZTGCYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-15(27-14-19-4-2-3-11-26-19)17-7-5-16(6-8-17)13-28-18-9-10-21-20(12-18)22(24)30-23(25)29-21/h2-12,27-28H,1,13-14H2,(H4,24,25,29,30).
What are the key properties of 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine?
6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine has a molecular weight of 397.49 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine is sourced from PubChem (CID 59099570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).