2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine

C14H21N5O2 — CID 46780251

IUPAC2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
SMILES[2H]C([2H])([2H])N(CCCN)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)/i1D3
InChIKeyHVTJQTPDNHTWGI-FIBGUPNXSA-N
MW294.37 g/mol
LogP1.01
Rot. Bonds7

About 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine

2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine (PubChem CID 46780251) has the molecular formula C14H21N5O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
PubChem CID46780251
Molecular FormulaC14H21N5O2
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
SMILES[2H]C([2H])([2H])N(CCCN)c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)/i1D3
InChIKeyHVTJQTPDNHTWGI-FIBGUPNXSA-N
XLogP1.01
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine (CID 46780251) is 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine is [2H]C([2H])([2H])N(CCCN)c1nc(N)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine?
The InChIKey is HVTJQTPDNHTWGI-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)/i1D3.
What are the key properties of 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine?
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine has a molecular weight of 294.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 46780251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).