6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine

C16H25N5O2 — CID 142218261

IUPAC6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine
SMILESCCCN(CCNC)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H25N5O2/c1-5-7-21(8-6-18-2)16-19-12-10-14(23-4)13(22-3)9-11(12)15(17)20-16/h9-10,18H,5-8H2,1-4H3,(H2,17,19,20)
InChIKeyOEUNKGYKLNBWIV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.66
Rot. Bonds8

About 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine

6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine (PubChem CID 142218261) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine
PubChem CID142218261
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine
SMILESCCCN(CCNC)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H25N5O2/c1-5-7-21(8-6-18-2)16-19-12-10-14(23-4)13(22-3)9-11(12)15(17)20-16/h9-10,18H,5-8H2,1-4H3,(H2,17,19,20)
InChIKeyOEUNKGYKLNBWIV-UHFFFAOYSA-N
XLogP1.66
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 115355574
6,7,8-trimethoxy-2-N,2-N-dipropylquinazoline-2,4-diamine
CID 157201647
2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 134115399
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
CID 46780251
2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 169437840
6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
CID 45054366
3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol
CID 100642766
1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
CID 3077572
[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
CID 21155177
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 12919466
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[[6-[6-[6-[[3-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl-methylcarbamoyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]-N-methylbenzamide
CID 10260816

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine (CID 142218261) is 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine is CCCN(CCNC)c1nc(N)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine?
The InChIKey is OEUNKGYKLNBWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-5-7-21(8-6-18-2)16-19-12-10-14(23-4)13(22-3)9-11(12)15(17)20-16/h9-10,18H,5-8H2,1-4H3,(H2,17,19,20).
What are the key properties of 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine?
6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 142218261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).