5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C17H16FN3OS — CID 9211901

IUPAC5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1
InChIInChI=1S/C17H16FN3OS/c18-12-5-3-11(4-6-12)14-9-23-17-15(14)16(20-10-21-17)19-8-13-2-1-7-22-13/h3-6,9-10,13H,1-2,7-8H2,(H,19,20,21)/t13-/m0/s1
InChIKeyQKSMYGGENJBYJW-ZDUSSCGKSA-N
MW329.40 g/mol
LogP4.09
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9211901) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID9211901
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1
InChIInChI=1S/C17H16FN3OS/c18-12-5-3-11(4-6-12)14-9-23-17-15(14)16(20-10-21-17)19-8-13-2-1-7-22-13/h3-6,9-10,13H,1-2,7-8H2,(H,19,20,21)/t13-/m0/s1
InChIKeyQKSMYGGENJBYJW-ZDUSSCGKSA-N
XLogP4.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2791477
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9025411
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9115935
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8982388
5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 42941769
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1281723

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 9211901) is 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QKSMYGGENJBYJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-12-5-3-11(4-6-12)14-9-23-17-15(14)16(20-10-21-17)19-8-13-2-1-7-22-13/h3-6,9-10,13H,1-2,7-8H2,(H,19,20,21)/t13-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9211901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).