5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide

C18H18ClN5O — CID 66571378

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN5O/c1-3-24-15(14-6-7-22-18(21)23-14)9-13(17(20)25)16(24)12-8-11(19)5-4-10(12)2/h4-9H,3H2,1-2H3,(H2,20,25)(H2,21,22,23)
InChIKeyGPSCMUMAFNLGBT-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.27
Rot. Bonds4

About 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide (PubChem CID 66571378) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
PubChem CID66571378
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN5O/c1-3-24-15(14-6-7-22-18(21)23-14)9-13(17(20)25)16(24)12-8-11(19)5-4-10(12)2/h4-9H,3H2,1-2H3,(H2,20,25)(H2,21,22,23)
InChIKeyGPSCMUMAFNLGBT-UHFFFAOYSA-N
XLogP3.27
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide (CID 66571378) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide is CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
The InChIKey is GPSCMUMAFNLGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-3-24-15(14-6-7-22-18(21)23-14)9-13(17(20)25)16(24)12-8-11(19)5-4-10(12)2/h4-9H,3H2,1-2H3,(H2,20,25)(H2,21,22,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 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)-1-ethylpyrrole-3-carboxamide is sourced from PubChem (CID 66571378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).