N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C17H22ClN3S — CID 82066587

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cl)nc(NC(C)C3CC4CCC3C4)c2c1C
InChIInChI=1S/C17H22ClN3S/c1-8-10(3)22-16-14(8)15(20-17(18)21-16)19-9(2)13-7-11-4-5-12(13)6-11/h9,11-13H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyUYJHFEDMXLFDAM-UHFFFAOYSA-N
MW335.90 g/mol
LogP5.20
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066587) has the molecular formula C17H22ClN3S and a molecular weight of 335.90 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID82066587
Molecular FormulaC17H22ClN3S
Molecular Weight335.90 g/mol
Exact Mass335.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cl)nc(NC(C)C3CC4CCC3C4)c2c1C
InChIInChI=1S/C17H22ClN3S/c1-8-10(3)22-16-14(8)15(20-17(18)21-16)19-9(2)13-7-11-4-5-12(13)6-11/h9,11-13H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyUYJHFEDMXLFDAM-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.90
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80970610
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80979585
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157
2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066592
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 129428929
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine
CID 63536108
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 98291934
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-nitropyrimidin-4-amine
CID 62100526

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 82066587) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cl)nc(NC(C)C3CC4CCC3C4)c2c1C.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UYJHFEDMXLFDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3S/c1-8-10(3)22-16-14(8)15(20-17(18)21-16)19-9(2)13-7-11-4-5-12(13)6-11/h9,11-13H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.90 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).