methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate

C12H16ClN3O3 — CID 76561309

IUPACmethyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
SMILESCCC1COCCN1c1cc(C(=O)OC)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O3/c1-3-8-7-19-5-4-16(8)10-6-9(11(17)18-2)14-12(13)15-10/h6,8H,3-5,7H2,1-2H3
InChIKeyGFHACZVYYYQLRW-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.53
Rot. Bonds3

About methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate

methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate (PubChem CID 76561309) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
PubChem CID76561309
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Namemethyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
SMILESCCC1COCCN1c1cc(C(=O)OC)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O3/c1-3-8-7-19-5-4-16(8)10-6-9(11(17)18-2)14-12(13)15-10/h6,8H,3-5,7H2,1-2H3
InChIKeyGFHACZVYYYQLRW-UHFFFAOYSA-N
XLogP1.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
3-[[2-chloro-6-[(3S)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]methylsulfonyl]propanoic acid
CID 155388408
1-[2-chloro-6-[(3S)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-N,N-dimethylmethanesulfonamide
CID 155388386
1-[2-chloro-6-[(3S)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 155401758
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
CID 61257087
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
CID 61305378
ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
CID 113377140

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate (CID 76561309) is methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate is CCC1COCCN1c1cc(C(=O)OC)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate?
The InChIKey is GFHACZVYYYQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-3-8-7-19-5-4-16(8)10-6-9(11(17)18-2)14-12(13)15-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate?
methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 76561309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).