N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C17H13N3OS — CID 9450827

IUPACN-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@H](Nc2ncnc3sccc23)c2ccco2)cc1
InChIInChI=1S/C17H13N3OS/c1-2-5-12(6-3-1)15(14-7-4-9-21-14)20-16-13-8-10-22-17(13)19-11-18-16/h1-11,15H,(H,18,19,20)/t15-/m0/s1
InChIKeyPDSRWQKNANIQQS-HNNXBMFYSA-N
MW307.38 g/mol
LogP4.49
Rot. Bonds4

About N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9450827) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID9450827
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@H](Nc2ncnc3sccc23)c2ccco2)cc1
InChIInChI=1S/C17H13N3OS/c1-2-5-12(6-3-1)15(14-7-4-9-21-14)20-16-13-8-10-22-17(13)19-11-18-16/h1-11,15H,(H,18,19,20)/t15-/m0/s1
InChIKeyPDSRWQKNANIQQS-HNNXBMFYSA-N
XLogP4.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133336576
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 41332400
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
N-[(R)-furan-2-yl(phenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95861126
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382

Frequently Asked Questions

What is the IUPAC name of N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 9450827) is N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is c1ccc([C@H](Nc2ncnc3sccc23)c2ccco2)cc1.
What is the InChIKey of N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PDSRWQKNANIQQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-2-5-12(6-3-1)15(14-7-4-9-21-14)20-16-13-8-10-22-17(13)19-11-18-16/h1-11,15H,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9450827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).