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

C24H23ClN4OS — CID 2487092

IUPACN-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccccc1CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C24H23ClN4OS/c25-20-9-5-4-8-18(20)14-26-23-22-19(17-6-2-1-3-7-17)16-31-24(22)28-21(27-23)15-29-10-12-30-13-11-29/h1-9,16H,10-15H2,(H,26,27,28)
InChIKeyMDSKTIZVVAPGTM-UHFFFAOYSA-N
MW451.00 g/mol
LogP5.46
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2487092) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2487092
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccccc1CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C24H23ClN4OS/c25-20-9-5-4-8-18(20)14-26-23-22-19(17-6-2-1-3-7-17)16-31-24(22)28-21(27-23)15-29-10-12-30-13-11-29/h1-9,16H,10-15H2,(H,26,27,28)
InChIKeyMDSKTIZVVAPGTM-UHFFFAOYSA-N
XLogP5.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2487092) is N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is Clc1ccccc1CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MDSKTIZVVAPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c25-20-9-5-4-8-18(20)14-26-23-22-19(17-6-2-1-3-7-17)16-31-24(22)28-21(27-23)15-29-10-12-30-13-11-29/h1-9,16H,10-15H2,(H,26,27,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 451.00 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2487092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).