4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide

C9H12N4O3 — CID 123522893

IUPAC4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide
SMILESNC(=O)n1cnc(N2CCOCC2)cc1=O
InChIInChI=1S/C9H12N4O3/c10-9(15)13-6-11-7(5-8(13)14)12-1-3-16-4-2-12/h5-6H,1-4H2,(H2,10,15)
InChIKeyQDCMJSASIQMHHA-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.99
Rot. Bonds1

About 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide

4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide (PubChem CID 123522893) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide
PubChem CID123522893
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide
SMILESNC(=O)n1cnc(N2CCOCC2)cc1=O
InChIInChI=1S/C9H12N4O3/c10-9(15)13-6-11-7(5-8(13)14)12-1-3-16-4-2-12/h5-6H,1-4H2,(H2,10,15)
InChIKeyQDCMJSASIQMHHA-UHFFFAOYSA-N
XLogP-0.99
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-morpholin-4-ylpyrimidin-4(3H)-one
CID 135512317
2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
6-Amino-2-(morpholin-4-yl)pyrimidin-4(1H)-one
CID 135587491
6-Morpholinopyrimidin-4-ol
CID 136128233
2-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 153909156
1,3-Dimethyl-6-(morpholinomethyleneamino)pyrimidine-2,4-dione
CID 101563465
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
2-Amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525155
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
6-Amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one
CID 91318119
3-Cyclopropyl-6-morpholin-4-ylpyrimidin-4-one
CID 123460865

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide?
The IUPAC name of 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide (CID 123522893) is 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide is NC(=O)n1cnc(N2CCOCC2)cc1=O.
What is the InChIKey of 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide?
The InChIKey is QDCMJSASIQMHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-9(15)13-6-11-7(5-8(13)14)12-1-3-16-4-2-12/h5-6H,1-4H2,(H2,10,15).
What are the key properties of 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide?
4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-oxopyrimidine-1-carboxamide is sourced from PubChem (CID 123522893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).