6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one

C15H17N5O2 — CID 167473152

IUPAC6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one
SMILES[H]/N=C(\c1cccc(N2CCOCC2)c1)n1c(N)ccnc1=O
InChIInChI=1S/C15H17N5O2/c16-13-4-5-18-15(21)20(13)14(17)11-2-1-3-12(10-11)19-6-8-22-9-7-19/h1-5,10,17H,6-9,16H2/b17-14+
InChIKeyIODZWGSGMDWTRQ-SAPNQHFASA-N
MW299.33 g/mol
LogP0.54
Rot. Bonds2

About 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one

6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one (PubChem CID 167473152) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one
PubChem CID167473152
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one
SMILES[H]/N=C(\c1cccc(N2CCOCC2)c1)n1c(N)ccnc1=O
InChIInChI=1S/C15H17N5O2/c16-13-4-5-18-15(21)20(13)14(17)11-2-1-3-12(10-11)19-6-8-22-9-7-19/h1-5,10,17H,6-9,16H2/b17-14+
InChIKeyIODZWGSGMDWTRQ-SAPNQHFASA-N
XLogP0.54
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine
CID 89070023
4-[3-(1-phenylethenyl)phenyl]morpholine
CID 66742179
morpholin-4-yl-[6-(4-morpholin-4-ylphenyl)quinolin-4-yl]methanimine
CID 137490334
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
5-methyl-2-(3-morpholin-4-ylphenyl)pyrazol-3-amine
CID 126743353
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one?
The IUPAC name of 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one (CID 167473152) is 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one.
What is the SMILES notation for 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one?
The canonical SMILES for 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one is [H]/N=C(\c1cccc(N2CCOCC2)c1)n1c(N)ccnc1=O.
What is the InChIKey of 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one?
The InChIKey is IODZWGSGMDWTRQ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H17N5O2/c16-13-4-5-18-15(21)20(13)14(17)11-2-1-3-12(10-11)19-6-8-22-9-7-19/h1-5,10,17H,6-9,16H2/b17-14+.
What are the key properties of 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one?
6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-morpholin-4-ylbenzenecarboximidoyl)pyrimidin-2-one is sourced from PubChem (CID 167473152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).