4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine

C21H19N5O — CID 71690909

IUPAC4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
SMILESCOc1ccc(CNc2nc(Nc3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N5O/c1-27-17-8-6-15(7-9-17)14-23-20-18-4-2-3-5-19(18)25-21(26-20)24-16-10-12-22-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24,25,26)
InChIKeyVSXYKLBBLLIKAD-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.39
Rot. Bonds6

About 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine

4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine (PubChem CID 71690909) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
PubChem CID71690909
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
SMILESCOc1ccc(CNc2nc(Nc3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N5O/c1-27-17-8-6-15(7-9-17)14-23-20-18-4-2-3-5-19(18)25-21(26-20)24-16-10-12-22-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24,25,26)
InChIKeyVSXYKLBBLLIKAD-UHFFFAOYSA-N
XLogP4.39
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine (CID 71690909) is 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine is COc1ccc(CNc2nc(Nc3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine?
The InChIKey is VSXYKLBBLLIKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-17-8-6-15(7-9-17)14-23-20-18-4-2-3-5-19(18)25-21(26-20)24-16-10-12-22-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine has a molecular weight of 357.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine is sourced from PubChem (CID 71690909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).