BFOWVKRAGHVYJA-UHFFFAOYSA-N

Name: BFOWVKRAGHVYJA-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₆ClN₅O — CID 66571138

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-methyl-1H-pyrrole-3-carboxamide

SMILESCNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C

InChIInChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(24)20-2)8-14(22-15)13-5-6-21-17(19)23-13/h3-8,22H,1-2H3,(H,20,24)(H2,19,21,23)

InChIKeyBFOWVKRAGHVYJA-UHFFFAOYSA-N

MW341.80 g/mol

LogP3.04

Rot. Bonds3

About BFOWVKRAGHVYJA-UHFFFAOYSA-N

BFOWVKRAGHVYJA-UHFFFAOYSA-N (PubChem CID 66571138) has the molecular formula C₁₇H₁₆ClN₅O and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	BFOWVKRAGHVYJA-UHFFFAOYSA-N
PubChem CID	66571138
Molecular Formula	C₁₇H₁₆ClN₅O
Molecular Weight	341.80 g/mol
Exact Mass	341.10
IUPAC Name	5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILES	CNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C
InChI	InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(24)20-2)8-14(22-15)13-5-6-21-17(19)23-13/h3-8,22H,1-2H3,(H,20,24)(H2,19,21,23)
InChIKey	BFOWVKRAGHVYJA-UHFFFAOYSA-N
XLogP	3.04
TPSA	96.69 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.80
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of BFOWVKRAGHVYJA-UHFFFAOYSA-N?

The IUPAC name of BFOWVKRAGHVYJA-UHFFFAOYSA-N (CID 66571138) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-methyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for BFOWVKRAGHVYJA-UHFFFAOYSA-N?

The canonical SMILES for BFOWVKRAGHVYJA-UHFFFAOYSA-N is CNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C.

What is the InChIKey of BFOWVKRAGHVYJA-UHFFFAOYSA-N?

The InChIKey is BFOWVKRAGHVYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(24)20-2)8-14(22-15)13-5-6-21-17(19)23-13/h3-8,22H,1-2H3,(H,20,24)(H2,19,21,23).

What are the key properties of BFOWVKRAGHVYJA-UHFFFAOYSA-N?

BFOWVKRAGHVYJA-UHFFFAOYSA-N has a molecular weight of 341.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for BFOWVKRAGHVYJA-UHFFFAOYSA-N is sourced from PubChem (CID 66571138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66571138 — identifiers, structure, computed properties (public domain)

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