N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine

C13H17N3S — CID 64632868

IUPACN-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
SMILESCCC(CSc1ncnc2ccccc12)NC
InChIInChI=1S/C13H17N3S/c1-3-10(14-2)8-17-13-11-6-4-5-7-12(11)15-9-16-13/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyZOMNWROUKWNNBM-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine

N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine (PubChem CID 64632868) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
PubChem CID64632868
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
SMILESCCC(CSc1ncnc2ccccc12)NC
InChIInChI=1S/C13H17N3S/c1-3-10(14-2)8-17-13-11-6-4-5-7-12(11)15-9-16-13/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyZOMNWROUKWNNBM-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
CID 64633855
N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
CID 64633462
N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
CID 104755502
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-(3-bromo-2-phenylpropyl)sulfanylquinazoline
CID 65015814
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
CID 107524879
N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
4-(quinolin-2-ylmethylsulfanyl)quinazoline
CID 6919194
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
CID 64648831

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine (CID 64632868) is N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine is CCC(CSc1ncnc2ccccc12)NC.
What is the InChIKey of N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine?
The InChIKey is ZOMNWROUKWNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-10(14-2)8-17-13-11-6-4-5-7-12(11)15-9-16-13/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine?
N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine is sourced from PubChem (CID 64632868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).