N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide

C18H26N4O — CID 154766796

IUPACN-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide
SMILESCC(=O)NC1C2CCCN(c3ncnc4c3CCC4)C2C1(C)C
InChIInChI=1S/C18H26N4O/c1-11(23)21-15-13-7-5-9-22(16(13)18(15,2)3)17-12-6-4-8-14(12)19-10-20-17/h10,13,15-16H,4-9H2,1-3H3,(H,21,23)
InChIKeyYSKKLIXYXUEASC-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.09
Rot. Bonds2

About N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide

N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide (PubChem CID 154766796) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide
PubChem CID154766796
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide
SMILESCC(=O)NC1C2CCCN(c3ncnc4c3CCC4)C2C1(C)C
InChIInChI=1S/C18H26N4O/c1-11(23)21-15-13-7-5-9-22(16(13)18(15,2)3)17-12-6-4-8-14(12)19-10-20-17/h10,13,15-16H,4-9H2,1-3H3,(H,21,23)
InChIKeyYSKKLIXYXUEASC-UHFFFAOYSA-N
XLogP2.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide?
The IUPAC name of N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide (CID 154766796) is N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide?
The canonical SMILES for N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide is CC(=O)NC1C2CCCN(c3ncnc4c3CCC4)C2C1(C)C.
What is the InChIKey of N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide?
The InChIKey is YSKKLIXYXUEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-11(23)21-15-13-7-5-9-22(16(13)18(15,2)3)17-12-6-4-8-14(12)19-10-20-17/h10,13,15-16H,4-9H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide?
N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide is sourced from PubChem (CID 154766796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).