N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C21H27N3O2S — CID 110497877

IUPACN,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1ncnc2scc(-c3ccc(C(C)C)cc3)c12
InChIInChI=1S/C21H27N3O2S/c1-15(2)16-5-7-17(8-6-16)18-13-27-21-19(18)20(22-14-23-21)24(9-11-25-3)10-12-26-4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyFSSLQXOVLJXAPE-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.58
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110497877) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID110497877
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1ncnc2scc(-c3ccc(C(C)C)cc3)c12
InChIInChI=1S/C21H27N3O2S/c1-15(2)16-5-7-17(8-6-16)18-13-27-21-19(18)20(22-14-23-21)24(9-11-25-3)10-12-26-4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyFSSLQXOVLJXAPE-UHFFFAOYSA-N
XLogP4.58
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 110497877) is N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is COCCN(CCOC)c1ncnc2scc(-c3ccc(C(C)C)cc3)c12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FSSLQXOVLJXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-15(2)16-5-7-17(8-6-16)18-13-27-21-19(18)20(22-14-23-21)24(9-11-25-3)10-12-26-4/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 385.53 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110497877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).