6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine

C11H11Cl3N4 — CID 133380467

IUPAC6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C11H11Cl3N4/c1-6-16-9(13)4-10(17-6)15-5-7-3-8(12)11(14)18(7)2/h3-4H,5H2,1-2H3,(H,15,16,17)
InChIKeyFRESOCOMFQPQSC-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.70
Rot. Bonds3

About 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine

6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 133380467) has the molecular formula C11H11Cl3N4 and a molecular weight of 305.60 g/mol. Its IUPAC name is 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID133380467
Molecular FormulaC11H11Cl3N4
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C11H11Cl3N4/c1-6-16-9(13)4-10(17-6)15-5-7-3-8(12)11(14)18(7)2/h3-4H,5H2,1-2H3,(H,15,16,17)
InChIKeyFRESOCOMFQPQSC-UHFFFAOYSA-N
XLogP3.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine (CID 133380467) is 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NCc2cc(Cl)c(Cl)n2C)n1.
What is the InChIKey of 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is FRESOCOMFQPQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N4/c1-6-16-9(13)4-10(17-6)15-5-7-3-8(12)11(14)18(7)2/h3-4H,5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 305.60 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133380467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).