5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine

C20H22N4O2 — CID 123801543

IUPAC5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(C)c2c(Nc3cccnc3OC3CCOCC3)ncnc2c1
InChIInChI=1S/C20H22N4O2/c1-13-10-14(2)18-17(11-13)22-12-23-19(18)24-16-4-3-7-21-20(16)26-15-5-8-25-9-6-15/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,22,23,24)
InChIKeySCQMXTIMJQOJJM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.94
Rot. Bonds4

About 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine

5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine (PubChem CID 123801543) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
PubChem CID123801543
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(C)c2c(Nc3cccnc3OC3CCOCC3)ncnc2c1
InChIInChI=1S/C20H22N4O2/c1-13-10-14(2)18-17(11-13)22-12-23-19(18)24-16-4-3-7-21-20(16)26-15-5-8-25-9-6-15/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,22,23,24)
InChIKeySCQMXTIMJQOJJM-UHFFFAOYSA-N
XLogP3.94
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
CID 90140607
4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane
CID 144622947
4-N-[2-(4,4-difluorocyclohexyl)oxy-3-pyridinyl]-5-methylquinazoline-4,7-diamine;methanethiol
CID 144622867
4-[[3-[[5-methyl-7-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]quinazolin-4-yl]amino]-2-pyridinyl]oxy]cyclohexan-1-ol
CID 123757531
4-[[3-[[7-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]cyclohexan-1-ol
CID 90140519
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[2-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-3-pyridinyl]-5-methylquinazolin-4-amine
CID 129256721
(3S,4R)-4-[[3-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]oxolan-3-ol;methane
CID 159132881
N-[2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-pyridinyl]-5-methyl-7-[(1-oxothiolan-1-ylidene)amino]quinazolin-4-amine
CID 118146032
tert-butyl (3R)-3-[[3-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 90140657
7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine
CID 144622976
1-[(3R,4R)-3-[[3-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]-4-methoxypyrrolidin-1-yl]ethanone
CID 118145755
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-5-methyl-7-(methylideneamino)quinazolin-4-amine;formaldehyde;pentane
CID 144854884

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine (CID 123801543) is 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine is Cc1cc(C)c2c(Nc3cccnc3OC3CCOCC3)ncnc2c1.
What is the InChIKey of 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is SCQMXTIMJQOJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-10-14(2)18-17(11-13)22-12-23-19(18)24-16-4-3-7-21-20(16)26-15-5-8-25-9-6-15/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,22,23,24).
What are the key properties of 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine?
5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 123801543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).