(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine

C9H13Cl2N5 — CID 87183221

IUPAC(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine
SMILESNCc1nc(Cl)c(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C9H13Cl2N5/c10-7-8(11)14-6(5-12)15-9(7)16-3-1-13-2-4-16/h13H,1-5,12H2
InChIKeyXRJWUXGYPKMRJU-UHFFFAOYSA-N
MW262.14 g/mol
LogP0.65
Rot. Bonds2

About (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine

(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine (PubChem CID 87183221) has the molecular formula C9H13Cl2N5 and a molecular weight of 262.14 g/mol. Its IUPAC name is (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine
PubChem CID87183221
Molecular FormulaC9H13Cl2N5
Molecular Weight262.14 g/mol
Exact Mass261.05
IUPAC Name(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine
SMILESNCc1nc(Cl)c(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C9H13Cl2N5/c10-7-8(11)14-6(5-12)15-9(7)16-3-1-13-2-4-16/h13H,1-5,12H2
InChIKeyXRJWUXGYPKMRJU-UHFFFAOYSA-N
XLogP0.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine?
The IUPAC name of (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine (CID 87183221) is (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine.
What is the SMILES notation for (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine?
The canonical SMILES for (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine is NCc1nc(Cl)c(Cl)c(N2CCNCC2)n1.
What is the InChIKey of (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine?
The InChIKey is XRJWUXGYPKMRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5/c10-7-8(11)14-6(5-12)15-9(7)16-3-1-13-2-4-16/h13H,1-5,12H2.
What are the key properties of (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine?
(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine has a molecular weight of 262.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 87183221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).