3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C10H16ClN5O3 — CID 136900971

IUPAC3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN5O3/c1-19-5-4-16(3-2-7(12)15-18)9-8(11)10(17)14-6-13-9/h6,18H,2-5H2,1H3,(H2,12,15)(H,13,14,17)
InChIKeyRMDGQRUJLYPNFG-UHFFFAOYSA-N
MW289.72 g/mol
LogP0.01
Rot. Bonds7

About 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 136900971) has the molecular formula C10H16ClN5O3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID136900971
Molecular FormulaC10H16ClN5O3
Molecular Weight289.72 g/mol
Exact Mass289.09
IUPAC Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN5O3/c1-19-5-4-16(3-2-7(12)15-18)9-8(11)10(17)14-6-13-9/h6,18H,2-5H2,1H3,(H2,12,15)(H,13,14,17)
InChIKeyRMDGQRUJLYPNFG-UHFFFAOYSA-N
XLogP0.01
TPSA116.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 136900971) is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCC(N)=NO)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is RMDGQRUJLYPNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O3/c1-19-5-4-16(3-2-7(12)15-18)9-8(11)10(17)14-6-13-9/h6,18H,2-5H2,1H3,(H2,12,15)(H,13,14,17).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 289.72 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 136900971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).