6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine

C14H16N6O2 — CID 117094579

IUPAC6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccnn3C)nc(N)c2cc1OC
InChIInChI=1S/C14H16N6O2/c1-20-12(4-5-16-20)18-14-17-9-7-11(22-3)10(21-2)6-8(9)13(15)19-14/h4-7H,1-3H3,(H3,15,17,18,19)
InChIKeyDKJYGXUJHSXGCT-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.71
Rot. Bonds4

About 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine (PubChem CID 117094579) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
PubChem CID117094579
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccnn3C)nc(N)c2cc1OC
InChIInChI=1S/C14H16N6O2/c1-20-12(4-5-16-20)18-14-17-9-7-11(22-3)10(21-2)6-8(9)13(15)19-14/h4-7H,1-3H3,(H3,15,17,18,19)
InChIKeyDKJYGXUJHSXGCT-UHFFFAOYSA-N
XLogP1.71
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117093892
6,7-dimethoxy-2-N-(4-nitrophenyl)quinazoline-2,4-diamine
CID 57328727
6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091979
6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
CID 44523304
2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 133333792
6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
CID 56557143
6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 133316627
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole
CID 142172422
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
CID 158035672
6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
CID 131963482
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine (CID 117094579) is 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine is COc1cc2nc(Nc3ccnn3C)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
The InChIKey is DKJYGXUJHSXGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-20-12(4-5-16-20)18-14-17-9-7-11(22-3)10(21-2)6-8(9)13(15)19-14/h4-7H,1-3H3,(H3,15,17,18,19).
What are the key properties of 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine has a molecular weight of 300.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 117094579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).