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

C23H21ClN4OS — CID 4846737

IUPACN-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C23H21ClN4OS/c24-17-7-4-8-18(13-17)25-22-21-19(16-5-2-1-3-6-16)15-30-23(21)27-20(26-22)14-28-9-11-29-12-10-28/h1-8,13,15H,9-12,14H2,(H,25,26,27)
InChIKeyPZZGIHNISHUEKF-UHFFFAOYSA-N
MW436.97 g/mol
LogP5.59
Rot. Bonds5

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

N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4846737) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4846737
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC NameN-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C23H21ClN4OS/c24-17-7-4-8-18(13-17)25-22-21-19(16-5-2-1-3-6-16)15-30-23(21)27-20(26-22)14-28-9-11-29-12-10-28/h1-8,13,15H,9-12,14H2,(H,25,26,27)
InChIKeyPZZGIHNISHUEKF-UHFFFAOYSA-N
XLogP5.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.97
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 4846737) is N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is Clc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PZZGIHNISHUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c24-17-7-4-8-18(13-17)25-22-21-19(16-5-2-1-3-6-16)15-30-23(21)27-20(26-22)14-28-9-11-29-12-10-28/h1-8,13,15H,9-12,14H2,(H,25,26,27).
What are the key properties of N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 436.97 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4846737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).