1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine

C11H18ClN5 — CID 154224594

IUPAC1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine
SMILESCNC1CN(C)CCN1c1ncc(C)c(Cl)n1
InChIInChI=1S/C11H18ClN5/c1-8-6-14-11(15-10(8)12)17-5-4-16(3)7-9(17)13-2/h6,9,13H,4-5,7H2,1-3H3
InChIKeyMYQNOUBZVXSZTC-UHFFFAOYSA-N
MW255.75 g/mol
LogP0.74
Rot. Bonds2

About 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine

1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine (PubChem CID 154224594) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine.

Molecular Properties

Compound Name1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine
PubChem CID154224594
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine
SMILESCNC1CN(C)CCN1c1ncc(C)c(Cl)n1
InChIInChI=1S/C11H18ClN5/c1-8-6-14-11(15-10(8)12)17-5-4-16(3)7-9(17)13-2/h6,9,13H,4-5,7H2,1-3H3
InChIKeyMYQNOUBZVXSZTC-UHFFFAOYSA-N
XLogP0.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine?
The IUPAC name of 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine (CID 154224594) is 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine.
What is the SMILES notation for 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine?
The canonical SMILES for 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine is CNC1CN(C)CCN1c1ncc(C)c(Cl)n1.
What is the InChIKey of 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine?
The InChIKey is MYQNOUBZVXSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-8-6-14-11(15-10(8)12)17-5-4-16(3)7-9(17)13-2/h6,9,13H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine?
1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methylpyrimidin-2-yl)-N,4-dimethylpiperazin-2-amine is sourced from PubChem (CID 154224594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).