2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide

C19H17ClN4OS — CID 74221039

IUPAC2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc(-c3ccc(Cl)s3)nc3c2CCC3)cc1
InChIInChI=1S/C19H17ClN4OS/c20-16-9-8-15(26-16)19-23-14-3-1-2-13(14)18(24-19)22-12-6-4-11(5-7-12)10-17(21)25/h4-9H,1-3,10H2,(H2,21,25)(H,22,23,24)
InChIKeyNZZBZYQHKBTWPO-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.12
Rot. Bonds5

About 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide

2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 74221039) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID74221039
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc(-c3ccc(Cl)s3)nc3c2CCC3)cc1
InChIInChI=1S/C19H17ClN4OS/c20-16-9-8-15(26-16)19-23-14-3-1-2-13(14)18(24-19)22-12-6-4-11(5-7-12)10-17(21)25/h4-9H,1-3,10H2,(H2,21,25)(H,22,23,24)
InChIKeyNZZBZYQHKBTWPO-UHFFFAOYSA-N
XLogP4.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide (CID 74221039) is 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2nc(-c3ccc(Cl)s3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is NZZBZYQHKBTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-16-9-8-15(26-16)19-23-14-3-1-2-13(14)18(24-19)22-12-6-4-11(5-7-12)10-17(21)25/h4-9H,1-3,10H2,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 384.89 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 74221039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).