N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide

C15H15N3OS — CID 16953555

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ncnc2c1CCC2
InChIInChI=1S/C15H15N3OS/c1-20-13-8-3-2-5-11(13)15(19)18-14-10-6-4-7-12(10)16-9-17-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,17,18,19)
InChIKeyWQCMTVCAZFKRGQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.94
Rot. Bonds3

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide (PubChem CID 16953555) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide
PubChem CID16953555
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ncnc2c1CCC2
InChIInChI=1S/C15H15N3OS/c1-20-13-8-3-2-5-11(13)15(19)18-14-10-6-4-7-12(10)16-9-17-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,17,18,19)
InChIKeyWQCMTVCAZFKRGQ-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide
CID 16953587
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide
CID 16953563
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide
CID 71962100
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylsulfanyl)benzoic acid
CID 62833147
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylsulfanylbenzamide
CID 7565003
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16953504
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 16953467
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide (CID 16953555) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ncnc2c1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide?
The InChIKey is WQCMTVCAZFKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-20-13-8-3-2-5-11(13)15(19)18-14-10-6-4-7-12(10)16-9-17-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,17,18,19).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 2.94, 3 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)-2-methylsulfanylbenzamide is sourced from PubChem (CID 16953555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).