4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine

C16H16N4O — CID 80795195

IUPAC4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
SMILESCOc1cccc(N(C)c2nc(N)nc3ccccc23)c1
InChIInChI=1S/C16H16N4O/c1-20(11-6-5-7-12(10-11)21-2)15-13-8-3-4-9-14(13)18-16(17)19-15/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyXZAUAEZYYHYOQU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.99
Rot. Bonds3

About 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine

4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine (PubChem CID 80795195) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
PubChem CID80795195
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
SMILESCOc1cccc(N(C)c2nc(N)nc3ccccc23)c1
InChIInChI=1S/C16H16N4O/c1-20(11-6-5-7-12(10-11)21-2)15-13-8-3-4-9-14(13)18-16(17)19-15/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyXZAUAEZYYHYOQU-UHFFFAOYSA-N
XLogP2.99
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine (CID 80795195) is 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine is COc1cccc(N(C)c2nc(N)nc3ccccc23)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
The InChIKey is XZAUAEZYYHYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(11-6-5-7-12(10-11)21-2)15-13-8-3-4-9-14(13)18-16(17)19-15/h3-10H,1-2H3,(H2,17,18,19).
What are the key properties of 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80795195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).