N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine

C15H21N3S — CID 64633855

IUPACN-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
SMILESCCCC(CSc1ncnc2ccccc12)NCC
InChIInChI=1S/C15H21N3S/c1-3-7-12(16-4-2)10-19-15-13-8-5-6-9-14(13)17-11-18-15/h5-6,8-9,11-12,16H,3-4,7,10H2,1-2H3
InChIKeyWCYWLCMQPBCCEI-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds7

About N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine

N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine (PubChem CID 64633855) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
PubChem CID64633855
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
SMILESCCCC(CSc1ncnc2ccccc12)NCC
InChIInChI=1S/C15H21N3S/c1-3-7-12(16-4-2)10-19-15-13-8-5-6-9-14(13)17-11-18-15/h5-6,8-9,11-12,16H,3-4,7,10H2,1-2H3
InChIKeyWCYWLCMQPBCCEI-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexylquinazolin-4-amine
CID 13231190
N-methylquinazolin-4-amine
CID 252220
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
4-[(3-Nitrophenyl)methylsulfanyl]quinazoline
CID 2412846
Diethyl[3-(quinazolin-4-ylamino)propyl]amine, chloride
CID 2789697
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
N-(1,1-dioxothiolan-3-yl)-2-quinazolin-4-ylthioacetamide
CID 4367484
N-methyl-2-(methylsulfanyl)-4-quinazolinamine
CID 5193836
4-((3-Methylbenzyl)thio)quinazoline
CID 7117226
4-Benzylthioquinazoline
CID 248346

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine?
The IUPAC name of N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine (CID 64633855) is N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine is CCCC(CSc1ncnc2ccccc12)NCC.
What is the InChIKey of N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine?
The InChIKey is WCYWLCMQPBCCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-7-12(16-4-2)10-19-15-13-8-5-6-9-14(13)17-11-18-15/h5-6,8-9,11-12,16H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine?
N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine is sourced from PubChem (CID 64633855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).