ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate

C19H26N4O4 — CID 91400100

IUPACethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
SMILESCC.COC(=O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C17H20N4O4.C2H6/c1-23-16(22)14-12-15(21-7-10-24-11-8-21)20-17(19-14)25-9-5-13-4-2-3-6-18-13;1-2/h2-4,6,12H,5,7-11H2,1H3;1-2H3
InChIKeyVLLMPGGLGCOVSZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.14
Rot. Bonds6

About ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate

ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate (PubChem CID 91400100) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
PubChem CID91400100
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
SMILESCC.COC(=O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C17H20N4O4.C2H6/c1-23-16(22)14-12-15(21-7-10-24-11-8-21)20-17(19-14)25-9-5-13-4-2-3-6-18-13;1-2/h2-4,6,12H,5,7-11H2,1H3;1-2H3
InChIKeyVLLMPGGLGCOVSZ-UHFFFAOYSA-N
XLogP2.14
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97423047
Methyl 6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)pyrimidine-4-carboxylate
CID 172055314
Methyl 2-chloro-6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)pyrimidine-4-carboxylate
CID 172055327
Ethyl 2-phenylpyrimidine-4-carboxylate
CID 15372804
Methyl 2-phenylpyrimidine-4-carboxylate
CID 71282619
[(S)-phenyl(pyridin-3-yl)methyl] 2-cyclopropylpyrimidine-4-carboxylate
CID 96436853
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 164629378
2,6-dimethyl-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
CID 164641257
Methyl 6-(5-fluoropyridin-3-yl)pyrimidine-4-carboxylate
CID 44633265
Ethyl 6-[(2-fluoro-3-pyridinyl)amino]pyrimidine-4-carboxylate
CID 57569364
4-Amino-6-ethoxycarbonyl-2-(5-trifluoromethylpyridin-2-yl)-pyrimidine
CID 67076553
2-Morpholin-4-ylethyl 5-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxylate
CID 69922007

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
The IUPAC name of ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate (CID 91400100) is ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate.
What is the SMILES notation for ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
The canonical SMILES for ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate is CC.COC(=O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.
What is the InChIKey of ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
The InChIKey is VLLMPGGLGCOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4.C2H6/c1-23-16(22)14-12-15(21-7-10-24-11-8-21)20-17(19-14)25-9-5-13-4-2-3-6-18-13;1-2/h2-4,6,12H,5,7-11H2,1H3;1-2H3.
What are the key properties of ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate is sourced from PubChem (CID 91400100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).