2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine

C24H30N8O4 — CID 169437840

IUPAC2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
SMILES[2H]C([2H])([2H])N(CCCNc1nc(N)c2cc(OC)c(OC)cc2n1)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C24H30N8O4/c1-32(24-29-16-12-20(36-5)18(34-3)10-14(16)22(26)31-24)8-6-7-27-23-28-15-11-19(35-4)17(33-2)9-13(15)21(25)30-23/h9-12H,6-8H2,1-5H3,(H2,26,29,31)(H3,25,27,28,30)/i1D3
InChIKeyCEKUOLRGTZEHMC-FIBGUPNXSA-N
MW497.57 g/mol
LogP2.71
Rot. Bonds11

About 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine

2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 169437840) has the molecular formula C24H30N8O4 and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID169437840
Molecular FormulaC24H30N8O4
Molecular Weight497.57 g/mol
Exact Mass497.26
IUPAC Name2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
SMILES[2H]C([2H])([2H])N(CCCNc1nc(N)c2cc(OC)c(OC)cc2n1)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C24H30N8O4/c1-32(24-29-16-12-20(36-5)18(34-3)10-14(16)22(26)31-24)8-6-7-27-23-28-15-11-19(35-4)17(33-2)9-13(15)21(25)30-23/h9-12H,6-8H2,1-5H3,(H2,26,29,31)(H3,25,27,28,30)/i1D3
InChIKeyCEKUOLRGTZEHMC-FIBGUPNXSA-N
XLogP2.71
TPSA155.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
CID 46780251
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methylbenzamide;hydrochloride
CID 3049725
2-N-[6-[2-[2-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]hexylamino]ethyldisulfanyl]ethylamino]hexyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 10010336
2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 134115399
2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
CID 158035672
2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine
CID 142218261
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 12919466
6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
CID 45054366
N-[3-[[4-amino-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
CID 76973780
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
CID 25235655

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine (CID 169437840) is 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine is [2H]C([2H])([2H])N(CCCNc1nc(N)c2cc(OC)c(OC)cc2n1)c1nc(N)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is CEKUOLRGTZEHMC-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H30N8O4/c1-32(24-29-16-12-20(36-5)18(34-3)10-14(16)22(26)31-24)8-6-7-27-23-28-15-11-19(35-4)17(33-2)9-13(15)21(25)30-23/h9-12H,6-8H2,1-5H3,(H2,26,29,31)(H3,25,27,28,30)/i1D3.
What are the key properties of 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine?
2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 497.57 g/mol, XLogP of 2.71, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 169437840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).