4-morpholin-4-ylpyrimidine-5-carboximidamide

C9H13N5O — CID 83883158

IUPAC4-morpholin-4-ylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1N1CCOCC1
InChIInChI=1S/C9H13N5O/c10-8(11)7-5-12-6-13-9(7)14-1-3-15-4-2-14/h5-6H,1-4H2,(H3,10,11)
InChIKeyVPDRMMFBYJIVAL-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.40
Rot. Bonds2

About 4-morpholin-4-ylpyrimidine-5-carboximidamide

4-morpholin-4-ylpyrimidine-5-carboximidamide (PubChem CID 83883158) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-morpholin-4-ylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-morpholin-4-ylpyrimidine-5-carboximidamide
PubChem CID83883158
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-morpholin-4-ylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1N1CCOCC1
InChIInChI=1S/C9H13N5O/c10-8(11)7-5-12-6-13-9(7)14-1-3-15-4-2-14/h5-6H,1-4H2,(H3,10,11)
InChIKeyVPDRMMFBYJIVAL-UHFFFAOYSA-N
XLogP-0.40
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpyrimidine-5-carboximidamide?
The IUPAC name of 4-morpholin-4-ylpyrimidine-5-carboximidamide (CID 83883158) is 4-morpholin-4-ylpyrimidine-5-carboximidamide.
What is the SMILES notation for 4-morpholin-4-ylpyrimidine-5-carboximidamide?
The canonical SMILES for 4-morpholin-4-ylpyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncnc1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylpyrimidine-5-carboximidamide?
The InChIKey is VPDRMMFBYJIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-8(11)7-5-12-6-13-9(7)14-1-3-15-4-2-14/h5-6H,1-4H2,(H3,10,11).
What are the key properties of 4-morpholin-4-ylpyrimidine-5-carboximidamide?
4-morpholin-4-ylpyrimidine-5-carboximidamide has a molecular weight of 207.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylpyrimidine-5-carboximidamide is sourced from PubChem (CID 83883158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).