ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate

C11H16ClN3O4 — CID 88918882

IUPACethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)nc(NCCO)c1OCC
InChIInChI=1S/C11H16ClN3O4/c1-3-18-8-7(10(17)19-4-2)14-11(12)15-9(8)13-5-6-16/h16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyZXSMFCNBCMRMSG-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate

ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate (PubChem CID 88918882) has the molecular formula C11H16ClN3O4 and a molecular weight of 289.72 g/mol. Its IUPAC name is ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate
PubChem CID88918882
Molecular FormulaC11H16ClN3O4
Molecular Weight289.72 g/mol
Exact Mass289.08
IUPAC Nameethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)nc(NCCO)c1OCC
InChIInChI=1S/C11H16ClN3O4/c1-3-18-8-7(10(17)19-4-2)14-11(12)15-9(8)13-5-6-16/h16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyZXSMFCNBCMRMSG-UHFFFAOYSA-N
XLogP1.11
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
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ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
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ethyl 2-(2-hydroxyethylamino)-1,8-naphthyridine-3-carboxylate
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ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethyl 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]butanoate
CID 79076101
ethyl 2-chloro-4-(2-methoxyethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82066698
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
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CID 53419466

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate (CID 88918882) is ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate is CCOC(=O)c1nc(Cl)nc(NCCO)c1OCC.
What is the InChIKey of ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate?
The InChIKey is ZXSMFCNBCMRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4/c1-3-18-8-7(10(17)19-4-2)14-11(12)15-9(8)13-5-6-16/h16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate?
ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate has a molecular weight of 289.72 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 88918882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).