ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate

C20H19N5O2 — CID 68945170

IUPACethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cn(C)c2ccccc12
InChIInChI=1S/C20H19N5O2/c1-3-27-19(26)13-10-16(15-8-9-22-20(21)24-15)23-18(13)14-11-25(2)17-7-5-4-6-12(14)17/h4-11,23H,3H2,1-2H3,(H2,21,22,24)
InChIKeyUWGTZAFKCOWUNR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.39
Rot. Bonds4

About ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate

ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate (PubChem CID 68945170) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate
PubChem CID68945170
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Nameethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cn(C)c2ccccc12
InChIInChI=1S/C20H19N5O2/c1-3-27-19(26)13-10-16(15-8-9-22-20(21)24-15)23-18(13)14-11-25(2)17-7-5-4-6-12(14)17/h4-11,23H,3H2,1-2H3,(H2,21,22,24)
InChIKeyUWGTZAFKCOWUNR-UHFFFAOYSA-N
XLogP3.39
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxylate
CID 68947362
ethyl 5-(2-aminopyrimidin-4-yl)-1-methylpyrrole-3-carboxylate
CID 66678407
ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 71663417
4-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 16750666
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide;sulfuric acid
CID 52939598
5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methoxyphenyl)-1H-pyrrole-3-carboxylic acid
CID 141428963
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742
5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284080
5-methylpyrrolo[2,3-c]quinoline
CID 46228107
ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
CID 102424290
2-[5-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1H-pyrrol-3-yl]benzamide
CID 175261561
[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate (CID 68945170) is ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate?
The InChIKey is UWGTZAFKCOWUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-27-19(26)13-10-16(15-8-9-22-20(21)24-15)23-18(13)14-11-25(2)17-7-5-4-6-12(14)17/h4-11,23H,3H2,1-2H3,(H2,21,22,24).
What are the key properties of ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate?
ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 68945170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).