2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine

C17H22N4O2 — CID 133333792

IUPAC2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(NC(C3CC3)C3CC3)nc(N)c2cc1OC
InChIInChI=1S/C17H22N4O2/c1-22-13-7-11-12(8-14(13)23-2)19-17(21-16(11)18)20-15(9-3-4-9)10-5-6-10/h7-10,15H,3-6H2,1-2H3,(H3,18,19,20,21)
InChIKeyDNWMWQVOSGVQTC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.83
Rot. Bonds6

About 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine

2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 133333792) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID133333792
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(NC(C3CC3)C3CC3)nc(N)c2cc1OC
InChIInChI=1S/C17H22N4O2/c1-22-13-7-11-12(8-14(13)23-2)19-17(21-16(11)18)20-15(9-3-4-9)10-5-6-10/h7-10,15H,3-6H2,1-2H3,(H3,18,19,20,21)
InChIKeyDNWMWQVOSGVQTC-UHFFFAOYSA-N
XLogP2.83
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
CID 44523304
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 133316627
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
6,7-dimethoxy-2-N-(4-nitrophenyl)quinazoline-2,4-diamine
CID 57328727
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
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 166207162
[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117094579

Frequently Asked Questions

What is the IUPAC name of 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine (CID 133333792) is 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(NC(C3CC3)C3CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is DNWMWQVOSGVQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-13-7-11-12(8-14(13)23-2)19-17(21-16(11)18)20-15(9-3-4-9)10-5-6-10/h7-10,15H,3-6H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine?
2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 133333792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).