N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide

C16H17N3OS — CID 16953563

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2ncnc3c2CCC3)cc1
InChIInChI=1S/C16H17N3OS/c1-2-21-12-8-6-11(7-9-12)16(20)19-15-13-4-3-5-14(13)17-10-18-15/h6-10H,2-5H2,1H3,(H,17,18,19,20)
InChIKeyIQOFFCJNTYOKOU-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.33
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide (PubChem CID 16953563) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide
PubChem CID16953563
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2ncnc3c2CCC3)cc1
InChIInChI=1S/C16H17N3OS/c1-2-21-12-8-6-11(7-9-12)16(20)19-15-13-4-3-5-14(13)17-10-18-15/h6-10H,2-5H2,1H3,(H,17,18,19,20)
InChIKeyIQOFFCJNTYOKOU-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide (CID 16953563) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2ncnc3c2CCC3)cc1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide?
The InChIKey is IQOFFCJNTYOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-21-12-8-6-11(7-9-12)16(20)19-15-13-4-3-5-14(13)17-10-18-15/h6-10H,2-5H2,1H3,(H,17,18,19,20).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide has a molecular weight of 299.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 16953563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).