N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide

C17H19N3OS — CID 16953587

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2ncnc3c2CCC3)c1
InChIInChI=1S/C17H19N3OS/c1-11(2)22-13-6-3-5-12(9-13)17(21)20-16-14-7-4-8-15(14)18-10-19-16/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyXXRVTBCQUGPITJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.72
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide (PubChem CID 16953587) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide
PubChem CID16953587
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2ncnc3c2CCC3)c1
InChIInChI=1S/C17H19N3OS/c1-11(2)22-13-6-3-5-12(9-13)17(21)20-16-14-7-4-8-15(14)18-10-19-16/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyXXRVTBCQUGPITJ-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide
CID 16953555
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-ethylsulfanylbenzamide
CID 16953563
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16953504
N-(3,5-dimethylphenyl)-3-propan-2-ylsulfanylbenzamide
CID 8701079
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
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 16953467
N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 18587111
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16953507
3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 18587106
methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41147034
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 40957849

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide (CID 16953587) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide is CC(C)Sc1cccc(C(=O)Nc2ncnc3c2CCC3)c1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide?
The InChIKey is XXRVTBCQUGPITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11(2)22-13-6-3-5-12(9-13)17(21)20-16-14-7-4-8-15(14)18-10-19-16/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-propan-2-ylsulfanylbenzamide has a molecular weight of 313.43 g/mol, XLogP of 3.72, 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)-3-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 16953587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).