4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine

C15H13ClN4 — CID 71042865

IUPAC4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1-c1ccc(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C15H13ClN4/c1-9-2-3-10(16)8-11(9)12-4-5-13(19-12)14-6-7-18-15(17)20-14/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyOGDBXGMJDXGAOJ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.68
Rot. Bonds2

About 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine

4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine (PubChem CID 71042865) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
PubChem CID71042865
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1-c1ccc(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C15H13ClN4/c1-9-2-3-10(16)8-11(9)12-4-5-13(19-12)14-6-7-18-15(17)20-14/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyOGDBXGMJDXGAOJ-UHFFFAOYSA-N
XLogP3.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine (CID 71042865) is 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine is Cc1ccc(Cl)cc1-c1ccc(-c2ccnc(N)n2)[nH]1.
What is the InChIKey of 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
The InChIKey is OGDBXGMJDXGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-9-2-3-10(16)8-11(9)12-4-5-13(19-12)14-6-7-18-15(17)20-14/h2-8,19H,1H3,(H2,17,18,20).
What are the key properties of 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 71042865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).