2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine

C19H23N5O — CID 91963816

IUPAC2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
SMILESCOCCNc1nc(Nc2ccc(N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C19H23N5O/c1-24(2)15-10-8-14(9-11-15)21-19-22-17-7-5-4-6-16(17)18(23-19)20-12-13-25-3/h4-11H,12-13H2,1-3H3,(H2,20,21,22,23)
InChIKeyIMEJDTOGGVMDIJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.50
Rot. Bonds7

About 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine

2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine (PubChem CID 91963816) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
PubChem CID91963816
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
SMILESCOCCNc1nc(Nc2ccc(N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C19H23N5O/c1-24(2)15-10-8-14(9-11-15)21-19-22-17-7-5-4-6-16(17)18(23-19)20-12-13-25-3/h4-11H,12-13H2,1-3H3,(H2,20,21,22,23)
InChIKeyIMEJDTOGGVMDIJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine (CID 91963816) is 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine is COCCNc1nc(Nc2ccc(N(C)C)cc2)nc2ccccc12.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The InChIKey is IMEJDTOGGVMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24(2)15-10-8-14(9-11-15)21-19-22-17-7-5-4-6-16(17)18(23-19)20-12-13-25-3/h4-11H,12-13H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).