4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine

C15H23N5 — CID 64589298

IUPAC4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine
SMILESCC(C)C(CN(C)C)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H23N5/c1-10(2)14(8-20(3)4)19-15-12-7-11(16)5-6-13(12)17-9-18-15/h5-7,9-10,14H,8,16H2,1-4H3,(H,17,18,19)
InChIKeyUSKNYJFWHOAUDW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.21
Rot. Bonds5

About 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine (PubChem CID 64589298) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine
PubChem CID64589298
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine
SMILESCC(C)C(CN(C)C)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H23N5/c1-10(2)14(8-20(3)4)19-15-12-7-11(16)5-6-13(12)17-9-18-15/h5-7,9-10,14H,8,16H2,1-4H3,(H,17,18,19)
InChIKeyUSKNYJFWHOAUDW-UHFFFAOYSA-N
XLogP2.21
TPSA67.07 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588497
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588895
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
CID 102984055
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
3-methyl-2-N-(6-nitroquinazolin-4-yl)butane-1,2-diamine
CID 65191719
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,5-diamine
CID 61476180
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
(2S)-3-methyl-2-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 79247487

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine (CID 64589298) is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine is CC(C)C(CN(C)C)Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine?
The InChIKey is USKNYJFWHOAUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(2)14(8-20(3)4)19-15-12-7-11(16)5-6-13(12)17-9-18-15/h5-7,9-10,14H,8,16H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine?
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine is sourced from PubChem (CID 64589298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).