5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide

C19H20ClN5O2 — CID 66571199

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C
InChIInChI=1S/C19H20ClN5O2/c1-11-3-4-12(20)9-13(11)17-14(18(26)22-7-8-27-2)10-16(24-17)15-5-6-23-19(21)25-15/h3-6,9-10,24H,7-8H2,1-2H3,(H,22,26)(H2,21,23,25)
InChIKeyOSTUOGNGBFCXNG-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.06
Rot. Bonds6

About 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide (PubChem CID 66571199) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide
PubChem CID66571199
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C
InChIInChI=1S/C19H20ClN5O2/c1-11-3-4-12(20)9-13(11)17-14(18(26)22-7-8-27-2)10-16(24-17)15-5-6-23-19(21)25-15/h3-6,9-10,24H,7-8H2,1-2H3,(H,22,26)(H2,21,23,25)
InChIKeyOSTUOGNGBFCXNG-UHFFFAOYSA-N
XLogP3.06
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide (CID 66571199) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide is COCCNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OSTUOGNGBFCXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-11-3-4-12(20)9-13(11)17-14(18(26)22-7-8-27-2)10-16(24-17)15-5-6-23-19(21)25-15/h3-6,9-10,24H,7-8H2,1-2H3,(H,22,26)(H2,21,23,25).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-methoxyethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66571199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).