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

C16H25N5 — CID 80788749

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCC(C)CN(CCN(C)C)c1nc(N)nc2ccccc12
InChIInChI=1S/C16H25N5/c1-12(2)11-21(10-9-20(3)4)15-13-7-5-6-8-14(13)18-16(17)19-15/h5-8,12H,9-11H2,1-4H3,(H2,17,18,19)
InChIKeyUFCQQMILNSWVSR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.24
Rot. Bonds6

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

4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine (PubChem CID 80788749) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine
PubChem CID80788749
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCC(C)CN(CCN(C)C)c1nc(N)nc2ccccc12
InChIInChI=1S/C16H25N5/c1-12(2)11-21(10-9-20(3)4)15-13-7-5-6-8-14(13)18-16(17)19-15/h5-8,12H,9-11H2,1-4H3,(H2,17,18,19)
InChIKeyUFCQQMILNSWVSR-UHFFFAOYSA-N
XLogP2.24
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine (CID 80788749) is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine is CC(C)CN(CCN(C)C)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The InChIKey is UFCQQMILNSWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)11-21(10-9-20(3)4)15-13-7-5-6-8-14(13)18-16(17)19-15/h5-8,12H,9-11H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80788749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).