4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine

C19H14N8O — CID 137398382

IUPAC4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)cc3)c2c1
InChIInChI=1S/C19H14N8O/c20-12-1-6-16-15(7-12)19(23-9-21-16)26-13-2-4-14(5-3-13)28-18-8-17-22-10-25-27(17)11-24-18/h1-11H,20H2,(H,21,23,26)
InChIKeySFLUMXDUDZTIJS-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.19
Rot. Bonds4

About 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine

4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine (PubChem CID 137398382) has the molecular formula C19H14N8O and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
PubChem CID137398382
Molecular FormulaC19H14N8O
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)cc3)c2c1
InChIInChI=1S/C19H14N8O/c20-12-1-6-16-15(7-12)19(23-9-21-16)26-13-2-4-14(5-3-13)28-18-8-17-22-10-25-27(17)11-24-18/h1-11H,20H2,(H,21,23,26)
InChIKeySFLUMXDUDZTIJS-UHFFFAOYSA-N
XLogP3.19
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine
CID 137398088
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-N-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]quinazoline-4,6-diamine
CID 162431669
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 149171552
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
CID 162431908
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
2-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]acetonitrile
CID 64589511

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine (CID 137398382) is 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)cc3)c2c1.
What is the InChIKey of 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
The InChIKey is SFLUMXDUDZTIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O/c20-12-1-6-16-15(7-12)19(23-9-21-16)26-13-2-4-14(5-3-13)28-18-8-17-22-10-25-27(17)11-24-18/h1-11H,20H2,(H,21,23,26).
What are the key properties of 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine has a molecular weight of 370.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 137398382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).