2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine

C14H23N5O2 — CID 67027758

IUPAC2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine
SMILESCOc1cc2c(cc1OC)C(N)=NC(N)(CCN(C)C)N2
InChIInChI=1S/C14H23N5O2/c1-19(2)6-5-14(16)17-10-8-12(21-4)11(20-3)7-9(10)13(15)18-14/h7-8,17H,5-6,16H2,1-4H3,(H2,15,18)
InChIKeyOOMGAZMDZQVBOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.40
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine

2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine (PubChem CID 67027758) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine
PubChem CID67027758
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine
SMILESCOc1cc2c(cc1OC)C(N)=NC(N)(CCN(C)C)N2
InChIInChI=1S/C14H23N5O2/c1-19(2)6-5-14(16)17-10-8-12(21-4)11(20-3)7-9(10)13(15)18-14/h7-8,17H,5-6,16H2,1-4H3,(H2,15,18)
InChIKeyOOMGAZMDZQVBOK-UHFFFAOYSA-N
XLogP0.40
TPSA98.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine (CID 67027758) is 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine is COc1cc2c(cc1OC)C(N)=NC(N)(CCN(C)C)N2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine?
The InChIKey is OOMGAZMDZQVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-19(2)6-5-14(16)17-10-8-12(21-4)11(20-3)7-9(10)13(15)18-14/h7-8,17H,5-6,16H2,1-4H3,(H2,15,18).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine?
2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine has a molecular weight of 293.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-diamine is sourced from PubChem (CID 67027758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).