N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine

C16H17N3S — CID 63500664

IUPACN-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine
SMILESCCNc1nc(-c2ccc(CC)s2)nc2ccccc12
InChIInChI=1S/C16H17N3S/c1-3-11-9-10-14(20-11)16-18-13-8-6-5-7-12(13)15(19-16)17-4-2/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVBDMLYWFXYWQRB-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.35
Rot. Bonds4

About N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine

N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine (PubChem CID 63500664) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine
PubChem CID63500664
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine
SMILESCCNc1nc(-c2ccc(CC)s2)nc2ccccc12
InChIInChI=1S/C16H17N3S/c1-3-11-9-10-14(20-11)16-18-13-8-6-5-7-12(13)15(19-16)17-4-2/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVBDMLYWFXYWQRB-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine
CID 65237965
N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66297952
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine
CID 62321079
6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 63480834
2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
CID 55045564
N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
CID 63500841
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
CID 25218964
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine?
The IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine (CID 63500664) is N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine is CCNc1nc(-c2ccc(CC)s2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine?
The InChIKey is VBDMLYWFXYWQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-11-9-10-14(20-11)16-18-13-8-6-5-7-12(13)15(19-16)17-4-2/h5-10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine?
N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 63500664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).