5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine

C12H20ClN5 — CID 70493797

IUPAC5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(NC(C)C)nc(N2CCNCC2)c1Cl
InChIInChI=1S/C12H20ClN5/c1-8(2)15-12-16-9(3)10(13)11(17-12)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyHJETWYGTKDOICR-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.67
Rot. Bonds3

About 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine

5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 70493797) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine
PubChem CID70493797
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(NC(C)C)nc(N2CCNCC2)c1Cl
InChIInChI=1S/C12H20ClN5/c1-8(2)15-12-16-9(3)10(13)11(17-12)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyHJETWYGTKDOICR-UHFFFAOYSA-N
XLogP1.67
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine (CID 70493797) is 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine is Cc1nc(NC(C)C)nc(N2CCNCC2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is HJETWYGTKDOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-8(2)15-12-16-9(3)10(13)11(17-12)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine?
5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 70493797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).