6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane

C25H29N5O3 — CID 142432906

IUPAC6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
SMILESCC.COc1ncc(-c2cccc(CNc3nc(C)nc4cc(OC)c(OC)cc34)c2)cn1
InChIInChI=1S/C23H23N5O3.C2H6/c1-14-27-19-10-21(30-3)20(29-2)9-18(19)22(28-14)24-11-15-6-5-7-16(8-15)17-12-25-23(31-4)26-13-17;1-2/h5-10,12-13H,11H2,1-4H3,(H,24,27,28);1-2H3
InChIKeyUDTBRIBJABCKHC-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.06
Rot. Bonds7

About 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane

6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane (PubChem CID 142432906) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane.

Molecular Properties

Compound Name6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
PubChem CID142432906
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
SMILESCC.COc1ncc(-c2cccc(CNc3nc(C)nc4cc(OC)c(OC)cc34)c2)cn1
InChIInChI=1S/C23H23N5O3.C2H6/c1-14-27-19-10-21(30-3)20(29-2)9-18(19)22(28-14)24-11-15-6-5-7-16(8-15)17-12-25-23(31-4)26-13-17;1-2/h5-10,12-13H,11H2,1-4H3,(H,24,27,28);1-2H3
InChIKeyUDTBRIBJABCKHC-UHFFFAOYSA-N
XLogP5.06
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane with MolForge

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Related Compounds

6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433057
3-[4-[(3-bromophenyl)methylamino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-methoxy-N-methylpropanamide
CID 171600533
N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 146212943
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine
CID 146197263
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-nitroquinazolin-4-amine
CID 68516868
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146165
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane?
The IUPAC name of 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane (CID 142432906) is 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane.
What is the SMILES notation for 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane?
The canonical SMILES for 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane is CC.COc1ncc(-c2cccc(CNc3nc(C)nc4cc(OC)c(OC)cc34)c2)cn1.
What is the InChIKey of 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane?
The InChIKey is UDTBRIBJABCKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.C2H6/c1-14-27-19-10-21(30-3)20(29-2)9-18(19)22(28-14)24-11-15-6-5-7-16(8-15)17-12-25-23(31-4)26-13-17;1-2/h5-10,12-13H,11H2,1-4H3,(H,24,27,28);1-2H3.
What are the key properties of 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane?
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane has a molecular weight of 447.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane is sourced from PubChem (CID 142432906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).