3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide

C12H19N5O — CID 54997535

IUPAC3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCc1cc(C)nc(N(CC/C(N)=N/O)C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-8-7-9(2)15-12(14-8)17(10-3-4-10)6-5-11(13)16-18/h7,10,18H,3-6H2,1-2H3,(H2,13,16)
InChIKeyMAYXXNHHZOCCCC-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.20
Rot. Bonds5

About 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 54997535) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID54997535
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCc1cc(C)nc(N(CC/C(N)=N/O)C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-8-7-9(2)15-12(14-8)17(10-3-4-10)6-5-11(13)16-18/h7,10,18H,3-6H2,1-2H3,(H2,13,16)
InChIKeyMAYXXNHHZOCCCC-UHFFFAOYSA-N
XLogP1.20
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.20
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-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide (CID 54997535) is 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide is Cc1cc(C)nc(N(CC/C(N)=N/O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is MAYXXNHHZOCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-7-9(2)15-12(14-8)17(10-3-4-10)6-5-11(13)16-18/h7,10,18H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 249.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54997535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).