N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C21H23N3S — CID 98291934

IUPACN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C21H23N3S/c1-13(17-10-14-7-8-16(17)9-14)24-20-19-18(15-5-3-2-4-6-15)11-25-21(19)23-12-22-20/h2-6,11-14,16-17H,7-10H2,1H3,(H,22,23,24)/t13-,14-,16-,17-/m0/s1
InChIKeyMBMPVAXSMWGZGN-OTRWWLKZSA-N
MW349.50 g/mol
LogP5.59
Rot. Bonds4

About N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 98291934) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID98291934
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C21H23N3S/c1-13(17-10-14-7-8-16(17)9-14)24-20-19-18(15-5-3-2-4-6-15)11-25-21(19)23-12-22-20/h2-6,11-14,16-17H,7-10H2,1H3,(H,22,23,24)/t13-,14-,16-,17-/m0/s1
InChIKeyMBMPVAXSMWGZGN-OTRWWLKZSA-N
XLogP5.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine
CID 98300920
5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95266346
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98607059
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 60503194
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 97317316
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 98291934) is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MBMPVAXSMWGZGN-OTRWWLKZSA-N. The full InChI is InChI=1S/C21H23N3S/c1-13(17-10-14-7-8-16(17)9-14)24-20-19-18(15-5-3-2-4-6-15)11-25-21(19)23-12-22-20/h2-6,11-14,16-17H,7-10H2,1H3,(H,22,23,24)/t13-,14-,16-,17-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 98291934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).