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

C15H16N4S — CID 80800246

IUPAC4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
SMILESCC(Cc1ccsc1)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C15H16N4S/c1-10(8-11-6-7-20-9-11)17-14-12-4-2-3-5-13(12)18-15(16)19-14/h2-7,9-10H,8H2,1H3,(H3,16,17,18,19)
InChIKeyRCVFGHUNILPQTK-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.32
Rot. Bonds4

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

4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine (PubChem CID 80800246) 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-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
PubChem CID80800246
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
SMILESCC(Cc1ccsc1)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C15H16N4S/c1-10(8-11-6-7-20-9-11)17-14-12-4-2-3-5-13(12)18-15(16)19-14/h2-7,9-10H,8H2,1H3,(H3,16,17,18,19)
InChIKeyRCVFGHUNILPQTK-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

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Related Compounds

6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588895
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80987707
4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
CID 80783257
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine (CID 80800246) is 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine is CC(Cc1ccsc1)Nc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine?
The InChIKey is RCVFGHUNILPQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10(8-11-6-7-20-9-11)17-14-12-4-2-3-5-13(12)18-15(16)19-14/h2-7,9-10H,8H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine?
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-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-2,4-diamine is sourced from PubChem (CID 80800246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).