N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide

C16H21N5O3 — CID 91832576

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCc2ncc3c(n2)CCC3)C1=O
InChIInChI=1S/C16H21N5O3/c1-2-6-21-15(23)12(20-16(21)24)7-14(22)18-9-13-17-8-10-4-3-5-11(10)19-13/h8,12H,2-7,9H2,1H3,(H,18,22)(H,20,24)
InChIKeyFWTGIVLVELHPFO-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.30
Rot. Bonds6

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide (PubChem CID 91832576) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
PubChem CID91832576
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCc2ncc3c(n2)CCC3)C1=O
InChIInChI=1S/C16H21N5O3/c1-2-6-21-15(23)12(20-16(21)24)7-14(22)18-9-13-17-8-10-4-3-5-11(10)19-13/h8,12H,2-7,9H2,1H3,(H,18,22)(H,20,24)
InChIKeyFWTGIVLVELHPFO-UHFFFAOYSA-N
XLogP0.30
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide (CID 91832576) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide is CCCN1C(=O)NC(CC(=O)NCc2ncc3c(n2)CCC3)C1=O.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide?
The InChIKey is FWTGIVLVELHPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-2-6-21-15(23)12(20-16(21)24)7-14(22)18-9-13-17-8-10-4-3-5-11(10)19-13/h8,12H,2-7,9H2,1H3,(H,18,22)(H,20,24).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide is sourced from PubChem (CID 91832576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).