2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide

C9H15N5O — CID 83884463

IUPAC2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide
SMILESCc1ncc(C/C(N)=N/O)c(N(C)C)n1
InChIInChI=1S/C9H15N5O/c1-6-11-5-7(4-8(10)13-15)9(12-6)14(2)3/h5,15H,4H2,1-3H3,(H2,10,13)
InChIKeyRYMOIHPKAGZFEC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.14
Rot. Bonds3

About 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide

2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide (PubChem CID 83884463) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide
PubChem CID83884463
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide
SMILESCc1ncc(C/C(N)=N/O)c(N(C)C)n1
InChIInChI=1S/C9H15N5O/c1-6-11-5-7(4-8(10)13-15)9(12-6)14(2)3/h5,15H,4H2,1-3H3,(H2,10,13)
InChIKeyRYMOIHPKAGZFEC-UHFFFAOYSA-N
XLogP0.14
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.14
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 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide (CID 83884463) is 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide is Cc1ncc(C/C(N)=N/O)c(N(C)C)n1.
What is the InChIKey of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide?
The InChIKey is RYMOIHPKAGZFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-11-5-7(4-8(10)13-15)9(12-6)14(2)3/h5,15H,4H2,1-3H3,(H2,10,13).
What are the key properties of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide?
2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide has a molecular weight of 209.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 83884463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).