3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

C12H19N5O — CID 76950514

IUPAC3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)c1ncnc2c1CCC2)C(N)=NO
InChIInChI=1S/C12H19N5O/c1-8(11(13)16-18)6-17(2)12-9-4-3-5-10(9)14-7-15-12/h7-8,18H,3-6H2,1-2H3,(H2,13,16)
InChIKeyRHXGYAKIVPPBAL-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.78
Rot. Bonds4

About 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76950514) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76950514
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)c1ncnc2c1CCC2)C(N)=NO
InChIInChI=1S/C12H19N5O/c1-8(11(13)16-18)6-17(2)12-9-4-3-5-10(9)14-7-15-12/h7-8,18H,3-6H2,1-2H3,(H2,13,16)
InChIKeyRHXGYAKIVPPBAL-UHFFFAOYSA-N
XLogP0.78
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76950514) is 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)c1ncnc2c1CCC2)C(N)=NO.
What is the InChIKey of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is RHXGYAKIVPPBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(11(13)16-18)6-17(2)12-9-4-3-5-10(9)14-7-15-12/h7-8,18H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 249.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76950514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).