6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine

C19H21N3O3 — CID 91641684

IUPAC6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(OC)c(CNc2ncnc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C19H21N3O3/c1-12-5-6-16-14(7-12)19(22-11-21-16)20-10-15-17(24-3)8-13(23-2)9-18(15)25-4/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyCYSBJTJQDXYRPB-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.58
Rot. Bonds6

About 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine

6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 91641684) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID91641684
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(OC)c(CNc2ncnc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C19H21N3O3/c1-12-5-6-16-14(7-12)19(22-11-21-16)20-10-15-17(24-3)8-13(23-2)9-18(15)25-4/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyCYSBJTJQDXYRPB-UHFFFAOYSA-N
XLogP3.58
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate
CID 141030833
6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid
CID 22649328
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
6-methyl-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327399
methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
CID 133429933
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-methylquinazolin-4-amine
CID 133428294
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164985861

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 91641684) is 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine is COc1cc(OC)c(CNc2ncnc3ccc(C)cc23)c(OC)c1.
What is the InChIKey of 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is CYSBJTJQDXYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-5-6-16-14(7-12)19(22-11-21-16)20-10-15-17(24-3)8-13(23-2)9-18(15)25-4/h5-9,11H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 91641684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).