4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide

C9H12ClN5O2 — CID 136971723

IUPAC4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2nc[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C9H12ClN5O2/c10-6-8(13-4-14-9(6)16)15-1-2-17-5(3-15)7(11)12/h4-5H,1-3H2,(H3,11,12)(H,13,14,16)
InChIKeyLARDPTURFKGEHP-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.44
Rot. Bonds2

About 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide

4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide (PubChem CID 136971723) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide
PubChem CID136971723
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2nc[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C9H12ClN5O2/c10-6-8(13-4-14-9(6)16)15-1-2-17-5(3-15)7(11)12/h4-5H,1-3H2,(H3,11,12)(H,13,14,16)
InChIKeyLARDPTURFKGEHP-UHFFFAOYSA-N
XLogP-0.44
TPSA108.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide 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 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide?
The IUPAC name of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide (CID 136971723) is 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2nc[nH]c(=O)c2Cl)CCO1.
What is the InChIKey of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide?
The InChIKey is LARDPTURFKGEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c10-6-8(13-4-14-9(6)16)15-1-2-17-5(3-15)7(11)12/h4-5H,1-3H2,(H3,11,12)(H,13,14,16).
What are the key properties of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide?
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide has a molecular weight of 257.68 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 136971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).