2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine

C13H18N4 — CID 1414265

IUPAC2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
SMILESCNc1nc(CCN(C)C)nc2ccccc12
InChIInChI=1S/C13H18N4/c1-14-13-10-6-4-5-7-11(10)15-12(16-13)8-9-17(2)3/h4-7H,8-9H2,1-3H3,(H,14,15,16)
InChIKeyOQVDXKJSPQEMJA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.78
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine

2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine (PubChem CID 1414265) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
PubChem CID1414265
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
SMILESCNc1nc(CCN(C)C)nc2ccccc12
InChIInChI=1S/C13H18N4/c1-14-13-10-6-4-5-7-11(10)15-12(16-13)8-9-17(2)3/h4-7H,8-9H2,1-3H3,(H,14,15,16)
InChIKeyOQVDXKJSPQEMJA-UHFFFAOYSA-N
XLogP1.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine (CID 1414265) is 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine is CNc1nc(CCN(C)C)nc2ccccc12.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine?
The InChIKey is OQVDXKJSPQEMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-14-13-10-6-4-5-7-11(10)15-12(16-13)8-9-17(2)3/h4-7H,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine?
2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine has a molecular weight of 230.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 1414265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).