2,6-dimorpholin-4-ylpyrimidine-4-carboxylate

C13H17N4O4- — CID 6989309

IUPAC2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N4O4/c18-12(19)10-9-11(16-1-5-20-6-2-16)15-13(14-10)17-3-7-21-8-4-17/h9H,1-8H2,(H,18,19)/p-1
InChIKeyPLTAUCRWFSTPNT-UHFFFAOYSA-M
MW293.30 g/mol
LogP-1.49
Rot. Bonds3

About 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate

2,6-dimorpholin-4-ylpyrimidine-4-carboxylate (PubChem CID 6989309) has the molecular formula C13H17N4O4- and a molecular weight of 293.30 g/mol. Its IUPAC name is 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
PubChem CID6989309
Molecular FormulaC13H17N4O4-
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N4O4/c18-12(19)10-9-11(16-1-5-20-6-2-16)15-13(14-10)17-3-7-21-8-4-17/h9H,1-8H2,(H,18,19)/p-1
InChIKeyPLTAUCRWFSTPNT-UHFFFAOYSA-M
XLogP-1.49
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 66972271
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
(2,5-dimethylfuran-3-yl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333529
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
3,3,3-trifluoro-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 122333617
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
CID 90226435
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269

Frequently Asked Questions

What is the IUPAC name of 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate?
The IUPAC name of 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate (CID 6989309) is 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate.
What is the SMILES notation for 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate?
The canonical SMILES for 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate is O=C([O-])c1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate?
The InChIKey is PLTAUCRWFSTPNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N4O4/c18-12(19)10-9-11(16-1-5-20-6-2-16)15-13(14-10)17-3-7-21-8-4-17/h9H,1-8H2,(H,18,19)/p-1.
What are the key properties of 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate?
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate has a molecular weight of 293.30 g/mol, XLogP of -1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimorpholin-4-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 6989309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).