4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine

C15H23N5 — CID 80812879

IUPAC4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCC(C)(C)N(C)C)c2ccccc2n1
InChIInChI=1S/C15H23N5/c1-15(2,20(4)5)10-17-13-11-8-6-7-9-12(11)18-14(16-3)19-13/h6-9H,10H2,1-5H3,(H2,16,17,18,19)
InChIKeyQNWUHXFOPFPNGY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds5

About 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine

4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine (PubChem CID 80812879) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
PubChem CID80812879
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCC(C)(C)N(C)C)c2ccccc2n1
InChIInChI=1S/C15H23N5/c1-15(2,20(4)5)10-17-13-11-8-6-7-9-12(11)18-14(16-3)19-13/h6-9H,10H2,1-5H3,(H2,16,17,18,19)
InChIKeyQNWUHXFOPFPNGY-UHFFFAOYSA-N
XLogP2.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine (CID 80812879) is 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine is CNc1nc(NCC(C)(C)N(C)C)c2ccccc2n1.
What is the InChIKey of 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine?
The InChIKey is QNWUHXFOPFPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-15(2,20(4)5)10-17-13-11-8-6-7-9-12(11)18-14(16-3)19-13/h6-9H,10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine?
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80812879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).