6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine

C20H18N4OS — CID 118734111

IUPAC6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(N[C@H](C)c3ccccn3)ncnc2s1
InChIInChI=1S/C20H18N4OS/c1-13(16-8-5-6-10-21-16)24-19-15-11-18(26-20(15)23-12-22-19)14-7-3-4-9-17(14)25-2/h3-13H,1-2H3,(H,22,23,24)/t13-/m1/s1
InChIKeyGNOJTHPAWKLQMI-CYBMUJFWSA-N
MW362.46 g/mol
LogP4.93
Rot. Bonds5

About 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine

6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734111) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734111
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(N[C@H](C)c3ccccn3)ncnc2s1
InChIInChI=1S/C20H18N4OS/c1-13(16-8-5-6-10-21-16)24-19-15-11-18(26-20(15)23-12-22-19)14-7-3-4-9-17(14)25-2/h3-13H,1-2H3,(H,22,23,24)/t13-/m1/s1
InChIKeyGNOJTHPAWKLQMI-CYBMUJFWSA-N
XLogP4.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 118734111) is 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc2c(N[C@H](C)c3ccccn3)ncnc2s1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GNOJTHPAWKLQMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13(16-8-5-6-10-21-16)24-19-15-11-18(26-20(15)23-12-22-19)14-7-3-4-9-17(14)25-2/h3-13H,1-2H3,(H,22,23,24)/t13-/m1/s1.
What are the key properties of 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 362.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).