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

C8H11Cl2N3 — CID 79077879

IUPAC1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCc1c(Cl)nc(CN(C)C)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-5-7(9)11-6(4-13(2)3)12-8(5)10/h4H2,1-3H3
InChIKeyXHJHYEZWIZWAIF-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.15
Rot. Bonds2

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

1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine (PubChem CID 79077879) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
PubChem CID79077879
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC Name1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCc1c(Cl)nc(CN(C)C)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-5-7(9)11-6(4-13(2)3)12-8(5)10/h4H2,1-3H3
InChIKeyXHJHYEZWIZWAIF-UHFFFAOYSA-N
XLogP2.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine (CID 79077879) is 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine is Cc1c(Cl)nc(CN(C)C)nc1Cl.
What is the InChIKey of 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is XHJHYEZWIZWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c1-5-7(9)11-6(4-13(2)3)12-8(5)10/h4H2,1-3H3.
What are the key properties of 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine?
1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 79077879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).