N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine

C18H22N4OS — CID 129479485

IUPACN-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESc1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCSCC3)ncn2)cc1
InChIInChI=1S/C18H22N4OS/c1-2-4-14(5-3-1)18-15(6-9-23-18)21-16-12-17(20-13-19-16)22-7-10-24-11-8-22/h1-5,12-13,15,18H,6-11H2,(H,19,20,21)/t15-,18-/m1/s1
InChIKeyGTQHUPQUAIHLQZ-CRAIPNDOSA-N
MW342.47 g/mol
LogP2.97
Rot. Bonds4

About N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine

N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 129479485) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID129479485
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESc1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCSCC3)ncn2)cc1
InChIInChI=1S/C18H22N4OS/c1-2-4-14(5-3-1)18-15(6-9-23-18)21-16-12-17(20-13-19-16)22-7-10-24-11-8-22/h1-5,12-13,15,18H,6-11H2,(H,19,20,21)/t15-,18-/m1/s1
InChIKeyGTQHUPQUAIHLQZ-CRAIPNDOSA-N
XLogP2.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
CID 133474028
4-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060202
5-fluoro-N-[(2S,3R)-2-phenyloxolan-3-yl]pyridin-2-amine
CID 124734601
[1-[6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133435438
(2S)-3-phenyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]propanoic acid
CID 120964320
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-(1,4-oxazepan-2-ylmethyl)-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 128844019
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426
4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine
CID 99798115
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469
6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine
CID 129339877
6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine
CID 53320232

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine (CID 129479485) is N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine is c1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCSCC3)ncn2)cc1.
What is the InChIKey of N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is GTQHUPQUAIHLQZ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-2-4-14(5-3-1)18-15(6-9-23-18)21-16-12-17(20-13-19-16)22-7-10-24-11-8-22/h1-5,12-13,15,18H,6-11H2,(H,19,20,21)/t15-,18-/m1/s1.
What are the key properties of N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine?
N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 129479485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).