N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide

C11H19N5O — CID 55152105

IUPACN'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide
SMILESCc1ccnc(N(CC/C(N)=N/O)C(C)C)n1
InChIInChI=1S/C11H19N5O/c1-8(2)16(7-5-10(12)15-17)11-13-6-4-9(3)14-11/h4,6,8,17H,5,7H2,1-3H3,(H2,12,15)
InChIKeyFYQMZFCTLNYUNZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.14
Rot. Bonds5

About N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide

N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide (PubChem CID 55152105) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide
PubChem CID55152105
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide
SMILESCc1ccnc(N(CC/C(N)=N/O)C(C)C)n1
InChIInChI=1S/C11H19N5O/c1-8(2)16(7-5-10(12)15-17)11-13-6-4-9(3)14-11/h4,6,8,17H,5,7H2,1-3H3,(H2,12,15)
InChIKeyFYQMZFCTLNYUNZ-UHFFFAOYSA-N
XLogP1.14
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.14
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 N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide (CID 55152105) is N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide is Cc1ccnc(N(CC/C(N)=N/O)C(C)C)n1.
What is the InChIKey of N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide?
The InChIKey is FYQMZFCTLNYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(2)16(7-5-10(12)15-17)11-13-6-4-9(3)14-11/h4,6,8,17H,5,7H2,1-3H3,(H2,12,15).
What are the key properties of N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide?
N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide has a molecular weight of 237.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 55152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).