6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine

C11H19ClN6 — CID 63897975

IUPAC6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCN1CCN(C)C(CNc2ncnc(Cl)c2N)C1
InChIInChI=1S/C11H19ClN6/c1-17-3-4-18(2)8(6-17)5-14-11-9(13)10(12)15-7-16-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyWPUKESBOPLIYFZ-UHFFFAOYSA-N
MW270.77 g/mol
LogP0.37
Rot. Bonds3

About 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine

6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 63897975) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine
PubChem CID63897975
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCN1CCN(C)C(CNc2ncnc(Cl)c2N)C1
InChIInChI=1S/C11H19ClN6/c1-17-3-4-18(2)8(6-17)5-14-11-9(13)10(12)15-7-16-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyWPUKESBOPLIYFZ-UHFFFAOYSA-N
XLogP0.37
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine (CID 63897975) is 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine is CN1CCN(C)C(CNc2ncnc(Cl)c2N)C1.
What is the InChIKey of 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is WPUKESBOPLIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-17-3-4-18(2)8(6-17)5-14-11-9(13)10(12)15-7-16-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 270.77 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 63897975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).