5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C10H15Cl2N5 — CID 13151084

IUPAC5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1nc(N2CCN(C)CC2)nc(Cl)c1Cl
InChIInChI=1S/C10H15Cl2N5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyQBYUMTXWGOKJJJ-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.58
Rot. Bonds2

About 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 13151084) has the molecular formula C10H15Cl2N5 and a molecular weight of 276.17 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID13151084
Molecular FormulaC10H15Cl2N5
Molecular Weight276.17 g/mol
Exact Mass275.07
IUPAC Name5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1nc(N2CCN(C)CC2)nc(Cl)c1Cl
InChIInChI=1S/C10H15Cl2N5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyQBYUMTXWGOKJJJ-UHFFFAOYSA-N
XLogP1.58
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 13151084) is 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CNc1nc(N2CCN(C)CC2)nc(Cl)c1Cl.
What is the InChIKey of 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is QBYUMTXWGOKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 276.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 13151084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).