methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate

C10H11ClN4O2 — CID 87576664

IUPACmethyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESCCn1cc(C(=O)OC)c2c(Cl)nc(N)nc21
InChIInChI=1S/C10H11ClN4O2/c1-3-15-4-5(9(16)17-2)6-7(11)13-10(12)14-8(6)15/h4H,3H2,1-2H3,(H2,12,13,14)
InChIKeyGAMOQZLAQMOLMW-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.47
Rot. Bonds2

About methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate

methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 87576664) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate
PubChem CID87576664
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Namemethyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESCCn1cc(C(=O)OC)c2c(Cl)nc(N)nc21
InChIInChI=1S/C10H11ClN4O2/c1-3-15-4-5(9(16)17-2)6-7(11)13-10(12)14-8(6)15/h4H,3H2,1-2H3,(H2,12,13,14)
InChIKeyGAMOQZLAQMOLMW-UHFFFAOYSA-N
XLogP1.47
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
methyl 6-amino-2,3-dichloropyridine-4-carboxylate
CID 130951422
methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate
CID 70383305
methyl 4-bromo-3-cyano-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820325
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
methyl 3-amino-5-chloro-2-ethylbenzoate
CID 86672668
[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5039578
methyl 5-amino-1-(2,4-dichlorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544472

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate (CID 87576664) is methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate is CCn1cc(C(=O)OC)c2c(Cl)nc(N)nc21.
What is the InChIKey of methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is GAMOQZLAQMOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-3-15-4-5(9(16)17-2)6-7(11)13-10(12)14-8(6)15/h4H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 254.68 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 87576664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).