N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H18N4OS — CID 95046571

IUPACN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOC[C@@H](c1ccccn1)N(C)c1nc(C)nc2sccc12
InChIInChI=1S/C16H18N4OS/c1-11-18-15(12-7-9-22-16(12)19-11)20(2)14(10-21-3)13-6-4-5-8-17-13/h4-9,14H,10H2,1-3H3/t14-/m0/s1
InChIKeyGDFUTUKQBPLFAJ-AWEZNQCLSA-N
MW314.41 g/mol
LogP3.22
Rot. Bonds5

About N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 95046571) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID95046571
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOC[C@@H](c1ccccn1)N(C)c1nc(C)nc2sccc12
InChIInChI=1S/C16H18N4OS/c1-11-18-15(12-7-9-22-16(12)19-11)20(2)14(10-21-3)13-6-4-5-8-17-13/h4-9,14H,10H2,1-3H3/t14-/m0/s1
InChIKeyGDFUTUKQBPLFAJ-AWEZNQCLSA-N
XLogP3.22
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 95046571) is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine is COC[C@@H](c1ccccn1)N(C)c1nc(C)nc2sccc12.
What is the InChIKey of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GDFUTUKQBPLFAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-18-15(12-7-9-22-16(12)19-11)20(2)14(10-21-3)13-6-4-5-8-17-13/h4-9,14H,10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 314.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95046571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).