2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine

C17H27N5O2 — CID 134115399

IUPAC2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
SMILESCCN(CC)CCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C17H27N5O2/c1-6-22(7-2)9-8-21(3)17-19-13-11-15(24-5)14(23-4)10-12(13)16(18)20-17/h10-11H,6-9H2,1-5H3,(H2,18,19,20)
InChIKeyRAIXQHGBENWLIA-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.01
Rot. Bonds8

About 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine

2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine (PubChem CID 134115399) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
PubChem CID134115399
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
SMILESCCN(CC)CCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C17H27N5O2/c1-6-22(7-2)9-8-21(3)17-19-13-11-15(24-5)14(23-4)10-12(13)16(18)20-17/h10-11H,6-9H2,1-5H3,(H2,18,19,20)
InChIKeyRAIXQHGBENWLIA-UHFFFAOYSA-N
XLogP2.01
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
CID 45054366
2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
CID 46780251
6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine
CID 142218261
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-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
CID 11486612
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 12919466
2-N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 91225306
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 10767981
1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 18540724
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
N-[3-[[4-amino-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
CID 76973780

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine (CID 134115399) is 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine is CCN(CC)CCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine?
The InChIKey is RAIXQHGBENWLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-6-22(7-2)9-8-21(3)17-19-13-11-15(24-5)14(23-4)10-12(13)16(18)20-17/h10-11H,6-9H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine?
2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 134115399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).