methyl 4-morpholin-4-ylpyrimidine-2-carboxylate

C10H13N3O3 — CID 150936080

IUPACmethyl 4-morpholin-4-ylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCOCC2)n1
InChIInChI=1S/C10H13N3O3/c1-15-10(14)9-11-3-2-8(12-9)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3
InChIKeyLHBCBPNBODIXHZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.10
Rot. Bonds2

About methyl 4-morpholin-4-ylpyrimidine-2-carboxylate

methyl 4-morpholin-4-ylpyrimidine-2-carboxylate (PubChem CID 150936080) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-morpholin-4-ylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-morpholin-4-ylpyrimidine-2-carboxylate
PubChem CID150936080
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 4-morpholin-4-ylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCOCC2)n1
InChIInChI=1S/C10H13N3O3/c1-15-10(14)9-11-3-2-8(12-9)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3
InChIKeyLHBCBPNBODIXHZ-UHFFFAOYSA-N
XLogP0.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxycarbonylpyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 66288610
methyl 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66286332
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
methyl 4-[4-(azetidin-3-yl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66287130
2-[4-(2-methoxycarbonylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 66287002
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 115307635
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
methyl 4-(3,3-dimethylpiperazin-1-yl)pyrimidine-2-carboxylate
CID 82993874
ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate
CID 174097987
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509

Frequently Asked Questions

What is the IUPAC name of methyl 4-morpholin-4-ylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-morpholin-4-ylpyrimidine-2-carboxylate (CID 150936080) is methyl 4-morpholin-4-ylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-morpholin-4-ylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-morpholin-4-ylpyrimidine-2-carboxylate is COC(=O)c1nccc(N2CCOCC2)n1.
What is the InChIKey of methyl 4-morpholin-4-ylpyrimidine-2-carboxylate?
The InChIKey is LHBCBPNBODIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-10(14)9-11-3-2-8(12-9)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3.
What are the key properties of methyl 4-morpholin-4-ylpyrimidine-2-carboxylate?
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-morpholin-4-ylpyrimidine-2-carboxylate is sourced from PubChem (CID 150936080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).