N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C18H20N4OS — CID 703074

IUPACN-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C18H20N4OS/c1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22/h1-5,12-13H,6-11H2,(H,19,20,21)
InChIKeyKVWCBPNVVCHGEW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.10
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 703074) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID703074
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C18H20N4OS/c1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22/h1-5,12-13H,6-11H2,(H,19,20,21)
InChIKeyKVWCBPNVVCHGEW-UHFFFAOYSA-N
XLogP3.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 703074) is N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KVWCBPNVVCHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22/h1-5,12-13H,6-11H2,(H,19,20,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 703074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).