5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

C12H19Cl2N5 — CID 13151086

IUPAC5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(N2CCN(C)CC2)nc(Cl)c1Cl
InChIInChI=1S/C12H19Cl2N5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDLVCITZHYFFAOX-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.36
Rot. Bonds3

About 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 13151086) has the molecular formula C12H19Cl2N5 and a molecular weight of 304.23 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID13151086
Molecular FormulaC12H19Cl2N5
Molecular Weight304.23 g/mol
Exact Mass303.10
IUPAC Name5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(N2CCN(C)CC2)nc(Cl)c1Cl
InChIInChI=1S/C12H19Cl2N5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDLVCITZHYFFAOX-UHFFFAOYSA-N
XLogP2.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (CID 13151086) is 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1nc(N2CCN(C)CC2)nc(Cl)c1Cl.
What is the InChIKey of 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is DLVCITZHYFFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 304.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 13151086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).