2-thiomorpholin-4-ylquinazolin-4-amine

C12H14N4S — CID 123991658

IUPAC2-thiomorpholin-4-ylquinazolin-4-amine
SMILESNc1nc(N2CCSCC2)nc2ccccc12
InChIInChI=1S/C12H14N4S/c13-11-9-3-1-2-4-10(9)14-12(15-11)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,13,14,15)
InChIKeyQTCMPYXOYFAZFI-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.77
Rot. Bonds1

About 2-thiomorpholin-4-ylquinazolin-4-amine

2-thiomorpholin-4-ylquinazolin-4-amine (PubChem CID 123991658) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-thiomorpholin-4-ylquinazolin-4-amine
PubChem CID123991658
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-thiomorpholin-4-ylquinazolin-4-amine
SMILESNc1nc(N2CCSCC2)nc2ccccc12
InChIInChI=1S/C12H14N4S/c13-11-9-3-1-2-4-10(9)14-12(15-11)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,13,14,15)
InChIKeyQTCMPYXOYFAZFI-UHFFFAOYSA-N
XLogP1.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 136531944
2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)quinazolin-4-amine
CID 175883645
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
CID 133454441
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
CID 154857857
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
(4-thiomorpholin-4-ylquinolin-2-yl)methanamine
CID 63373907
2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine
CID 166190492
2-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)quinazolin-4-amine
CID 162496353
2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)quinazolin-4-amine
CID 154806379

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylquinazolin-4-amine?
The IUPAC name of 2-thiomorpholin-4-ylquinazolin-4-amine (CID 123991658) is 2-thiomorpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-thiomorpholin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-thiomorpholin-4-ylquinazolin-4-amine is Nc1nc(N2CCSCC2)nc2ccccc12.
What is the InChIKey of 2-thiomorpholin-4-ylquinazolin-4-amine?
The InChIKey is QTCMPYXOYFAZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-11-9-3-1-2-4-10(9)14-12(15-11)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,13,14,15).
What are the key properties of 2-thiomorpholin-4-ylquinazolin-4-amine?
2-thiomorpholin-4-ylquinazolin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 123991658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).