1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine

C8H11BrClN3 — CID 79077691

IUPAC1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCc1nc(CN(C)C)nc(Cl)c1Br
InChIInChI=1S/C8H11BrClN3/c1-5-7(9)8(10)12-6(11-5)4-13(2)3/h4H2,1-3H3
InChIKeyNFUBLEWTVDGXMI-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.26
Rot. Bonds2

About 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine

1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine (PubChem CID 79077691) has the molecular formula C8H11BrClN3 and a molecular weight of 264.55 g/mol. Its IUPAC name is 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
PubChem CID79077691
Molecular FormulaC8H11BrClN3
Molecular Weight264.55 g/mol
Exact Mass262.98
IUPAC Name1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCc1nc(CN(C)C)nc(Cl)c1Br
InChIInChI=1S/C8H11BrClN3/c1-5-7(9)8(10)12-6(11-5)4-13(2)3/h4H2,1-3H3
InChIKeyNFUBLEWTVDGXMI-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine (CID 79077691) is 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine is Cc1nc(CN(C)C)nc(Cl)c1Br.
What is the InChIKey of 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is NFUBLEWTVDGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3/c1-5-7(9)8(10)12-6(11-5)4-13(2)3/h4H2,1-3H3.
What are the key properties of 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 264.55 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 79077691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).