4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine

C16H16N4O — CID 80769065

IUPAC4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccccc2OC)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-17-16-19-12-8-4-3-7-11(12)15(20-16)18-13-9-5-6-10-14(13)21-2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeySSDCFIAPRLPGNN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.42
Rot. Bonds4

About 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine

4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80769065) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80769065
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccccc2OC)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-17-16-19-12-8-4-3-7-11(12)15(20-16)18-13-9-5-6-10-14(13)21-2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeySSDCFIAPRLPGNN-UHFFFAOYSA-N
XLogP3.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750488
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569
4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80786241
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine (CID 80769065) is 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(Nc2ccccc2OC)c2ccccc2n1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is SSDCFIAPRLPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-17-16-19-12-8-4-3-7-11(12)15(20-16)18-13-9-5-6-10-14(13)21-2/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80769065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).