4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine

C15H16N4S — CID 64588895

IUPAC4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
SMILESCC(Cc1ccsc1)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H16N4S/c1-10(6-11-4-5-20-8-11)19-15-13-7-12(16)2-3-14(13)17-9-18-15/h2-5,7-10H,6,16H2,1H3,(H,17,18,19)
InChIKeyIORVCORUYNLEFN-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.32
Rot. Bonds4

About 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine

4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine (PubChem CID 64588895) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
PubChem CID64588895
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
SMILESCC(Cc1ccsc1)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H16N4S/c1-10(6-11-4-5-20-8-11)19-15-13-7-12(16)2-3-14(13)17-9-18-15/h2-5,7-10H,6,16H2,1H3,(H,17,18,19)
InChIKeyIORVCORUYNLEFN-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.32
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
2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 63231055
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588497
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
CID 80800246
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine
CID 80739473

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine (CID 64588895) is 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine is CC(Cc1ccsc1)Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine?
The InChIKey is IORVCORUYNLEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10(6-11-4-5-20-8-11)19-15-13-7-12(16)2-3-14(13)17-9-18-15/h2-5,7-10H,6,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine?
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 64588895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).