5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine

C20H17N5O — CID 134112776

IUPAC5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
SMILESCc1c(-c2cccc(Oc3ccccn3)c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C20H17N5O/c1-12-15(8-9-16-18(12)19(21)25-20(22)24-16)13-5-4-6-14(11-13)26-17-7-2-3-10-23-17/h2-11H,1H3,(H4,21,22,24,25)
InChIKeyMKADAQZSWGIHCP-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds3

About 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine

5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine (PubChem CID 134112776) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
PubChem CID134112776
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
SMILESCc1c(-c2cccc(Oc3ccccn3)c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C20H17N5O/c1-12-15(8-9-16-18(12)19(21)25-20(22)24-16)13-5-4-6-14(11-13)26-17-7-2-3-10-23-17/h2-11H,1H3,(H4,21,22,24,25)
InChIKeyMKADAQZSWGIHCP-UHFFFAOYSA-N
XLogP3.96
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
CID 134113376
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
6-(2-chlorophenyl)-5-methylquinazoline-2,4-diamine
CID 134112794
6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine
CID 134098551
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
CID 153421187
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
CID 153421691
5,6-dimethylquinazoline-2,4-diamine
CID 15152355
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
ethane;2-phenoxypyridine
CID 90835857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine (CID 134112776) is 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine is Cc1c(-c2cccc(Oc3ccccn3)c2)ccc2nc(N)nc(N)c12.
What is the InChIKey of 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine?
The InChIKey is MKADAQZSWGIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-15(8-9-16-18(12)19(21)25-20(22)24-16)13-5-4-6-14(11-13)26-17-7-2-3-10-23-17/h2-11H,1H3,(H4,21,22,24,25).
What are the key properties of 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine?
5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine has a molecular weight of 343.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 134112776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).