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

C8H10N4O — CID 53310533

IUPACN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ncnc2c1CCC2
InChIInChI=1S/C8H10N4O/c13-12-5-11-8-6-2-1-3-7(6)9-4-10-8/h4-5,13H,1-3H2,(H,9,10,11,12)
InChIKeyFWIPCBJDNAXOPK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.60
Rot. Bonds2

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

N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide (PubChem CID 53310533) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide
PubChem CID53310533
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ncnc2c1CCC2
InChIInChI=1S/C8H10N4O/c13-12-5-11-8-6-2-1-3-7(6)9-4-10-8/h4-5,13H,1-3H2,(H,9,10,11,12)
InChIKeyFWIPCBJDNAXOPK-UHFFFAOYSA-N
XLogP0.60
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide (CID 53310533) is N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide is ON/C=N/c1ncnc2c1CCC2.
What is the InChIKey of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide?
The InChIKey is FWIPCBJDNAXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c13-12-5-11-8-6-2-1-3-7(6)9-4-10-8/h4-5,13H,1-3H2,(H,9,10,11,12).
What are the key properties of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide?
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-hydroxymethanimidamide has a molecular weight of 178.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 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)-N-hydroxymethanimidamide is sourced from PubChem (CID 53310533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).