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

C11H12Cl2N4O — CID 133380369

IUPACN-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C11H12Cl2N4O/c1-17-7(5-8(12)10(17)13)6-15-11-14-4-3-9(16-11)18-2/h3-5H,6H2,1-2H3,(H,14,15,16)
InChIKeyOSNXABAKCSNULY-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.74
Rot. Bonds4

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

N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 133380369) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID133380369
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC NameN-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C11H12Cl2N4O/c1-17-7(5-8(12)10(17)13)6-15-11-14-4-3-9(16-11)18-2/h3-5H,6H2,1-2H3,(H,14,15,16)
InChIKeyOSNXABAKCSNULY-UHFFFAOYSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine (CID 133380369) is N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCc2cc(Cl)c(Cl)n2C)n1.
What is the InChIKey of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is OSNXABAKCSNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c1-17-7(5-8(12)10(17)13)6-15-11-14-4-3-9(16-11)18-2/h3-5H,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 287.15 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 133380369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).