6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

C22H21N3O2S — CID 127029520

IUPAC6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1OC
InChIInChI=1S/C22H21N3O2S/c1-14(15-8-5-4-6-9-15)25-21-17-12-19(28-22(17)24-13-23-21)16-10-7-11-18(26-2)20(16)27-3/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
InChIKeyNUBFTMKPGIRNJM-CQSZACIVSA-N
MW391.50 g/mol
LogP5.55
Rot. Bonds6

About 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 127029520) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID127029520
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1OC
InChIInChI=1S/C22H21N3O2S/c1-14(15-8-5-4-6-9-15)25-21-17-12-19(28-22(17)24-13-23-21)16-10-7-11-18(26-2)20(16)27-3/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
InChIKeyNUBFTMKPGIRNJM-CQSZACIVSA-N
XLogP5.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 127029520) is 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NUBFTMKPGIRNJM-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14(15-8-5-4-6-9-15)25-21-17-12-19(28-22(17)24-13-23-21)16-10-7-11-18(26-2)20(16)27-3/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1.
What are the key properties of 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 391.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127029520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).