4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine

C20H15N7O — CID 137398088

IUPAC4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Oc4cc5nccn5cn4)cc3)c2c1
InChIInChI=1S/C20H15N7O/c21-13-1-6-17-16(9-13)20(24-11-23-17)26-14-2-4-15(5-3-14)28-19-10-18-22-7-8-27(18)12-25-19/h1-12H,21H2,(H,23,24,26)
InChIKeySKSGRYIGXZOXIN-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.79
Rot. Bonds4

About 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine

4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine (PubChem CID 137398088) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine
PubChem CID137398088
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Oc4cc5nccn5cn4)cc3)c2c1
InChIInChI=1S/C20H15N7O/c21-13-1-6-17-16(9-13)20(24-11-23-17)26-14-2-4-15(5-3-14)28-19-10-18-22-7-8-27(18)12-25-19/h1-12H,21H2,(H,23,24,26)
InChIKeySKSGRYIGXZOXIN-UHFFFAOYSA-N
XLogP3.79
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
CID 137398382
3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine
CID 145360439
4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
CID 162431908
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
CID 58139984
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]but-2-ynamide
CID 162431474
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
2-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]acetonitrile
CID 64589511
N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139975
6-iodo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 137376476

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine (CID 137398088) is 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(Oc4cc5nccn5cn4)cc3)c2c1.
What is the InChIKey of 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine?
The InChIKey is SKSGRYIGXZOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c21-13-1-6-17-16(9-13)20(24-11-23-17)26-14-2-4-15(5-3-14)28-19-10-18-22-7-8-27(18)12-25-19/h1-12H,21H2,(H,23,24,26).
What are the key properties of 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine?
4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine has a molecular weight of 369.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 137398088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).