4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide

C17H16ClN5O — CID 73056520

IUPAC4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide
SMILESCCc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O
InChIInChI=1S/C17H16ClN5O/c1-2-10-3-4-12(18)6-14(10)23-8-11(5-15(23)17(20)24)13-7-16(19)22-9-21-13/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22)
InChIKeySFODGATVPKMEPG-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.83
Rot. Bonds4

About 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide

4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide (PubChem CID 73056520) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide
PubChem CID73056520
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide
SMILESCCc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O
InChIInChI=1S/C17H16ClN5O/c1-2-10-3-4-12(18)6-14(10)23-8-11(5-15(23)17(20)24)13-7-16(19)22-9-21-13/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22)
InChIKeySFODGATVPKMEPG-UHFFFAOYSA-N
XLogP2.83
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide (CID 73056520) is 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide is CCc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide?
The InChIKey is SFODGATVPKMEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-2-10-3-4-12(18)6-14(10)23-8-11(5-15(23)17(20)24)13-7-16(19)22-9-21-13/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22).
What are the key properties of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide?
4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 73056520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).