6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine

C24H20N10 — CID 600263

IUPAC6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(/N=C/c3ccc(/C=N/c4ccc5nc(N)nc(N)c5c4)cc3)ccc2n1
InChIInChI=1S/C24H20N10/c25-21-17-9-15(5-7-19(17)31-23(27)33-21)29-11-13-1-2-14(4-3-13)12-30-16-6-8-20-18(10-16)22(26)34-24(28)32-20/h1-12H,(H4,25,27,31,33)(H4,26,28,32,34)/b29-11+,30-12+
InChIKeyVAXXLSBDCRBUNZ-UYKANAEJSA-N
MW448.49 g/mol
LogP3.40
Rot. Bonds4

About 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine

6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine (PubChem CID 600263) has the molecular formula C24H20N10 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine
PubChem CID600263
Molecular FormulaC24H20N10
Molecular Weight448.49 g/mol
Exact Mass448.19
IUPAC Name6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(/N=C/c3ccc(/C=N/c4ccc5nc(N)nc(N)c5c4)cc3)ccc2n1
InChIInChI=1S/C24H20N10/c25-21-17-9-15(5-7-19(17)31-23(27)33-21)29-11-13-1-2-14(4-3-13)12-30-16-6-8-20-18(10-16)22(26)34-24(28)32-20/h1-12H,(H4,25,27,31,33)(H4,26,28,32,34)/b29-11+,30-12+
InChIKeyVAXXLSBDCRBUNZ-UYKANAEJSA-N
XLogP3.40
TPSA180.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine?
The IUPAC name of 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine (CID 600263) is 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine?
The canonical SMILES for 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine is Nc1nc(N)c2cc(/N=C/c3ccc(/C=N/c4ccc5nc(N)nc(N)c5c4)cc3)ccc2n1.
What is the InChIKey of 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine?
The InChIKey is VAXXLSBDCRBUNZ-UYKANAEJSA-N. The full InChI is InChI=1S/C24H20N10/c25-21-17-9-15(5-7-19(17)31-23(27)33-21)29-11-13-1-2-14(4-3-13)12-30-16-6-8-20-18(10-16)22(26)34-24(28)32-20/h1-12H,(H4,25,27,31,33)(H4,26,28,32,34)/b29-11+,30-12+.
What are the key properties of 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine?
6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine has a molecular weight of 448.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine is sourced from PubChem (CID 600263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).