N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide

C15H19N5O2S — CID 20930848

IUPACN-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
SMILESCCSc1ncc2c(=O)n(CC(=O)NC3CCCC3)cnc2n1
InChIInChI=1S/C15H19N5O2S/c1-2-23-15-16-7-11-13(19-15)17-9-20(14(11)22)8-12(21)18-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,18,21)
InChIKeyWXYIGZDFGDKJQD-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.36
Rot. Bonds5

About N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide

N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 20930848) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID20930848
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
SMILESCCSc1ncc2c(=O)n(CC(=O)NC3CCCC3)cnc2n1
InChIInChI=1S/C15H19N5O2S/c1-2-23-15-16-7-11-13(19-15)17-9-20(14(11)22)8-12(21)18-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,18,21)
InChIKeyWXYIGZDFGDKJQD-UHFFFAOYSA-N
XLogP1.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide (CID 20930848) is N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide is CCSc1ncc2c(=O)n(CC(=O)NC3CCCC3)cnc2n1.
What is the InChIKey of N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is WXYIGZDFGDKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-2-23-15-16-7-11-13(19-15)17-9-20(14(11)22)8-12(21)18-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide?
N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 333.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 20930848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).