4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine

C12H20N4 — CID 6485429

IUPAC4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCNCC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4/c1-9(2)12-14-10(3)8-11(15-12)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3
InChIKeyWDTSIWZARFGZIE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.32
Rot. Bonds2

About 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine

4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine (PubChem CID 6485429) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine
PubChem CID6485429
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCNCC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4/c1-9(2)12-14-10(3)8-11(15-12)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3
InChIKeyWDTSIWZARFGZIE-UHFFFAOYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine (CID 6485429) is 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine is Cc1cc(N2CCNCC2)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine?
The InChIKey is WDTSIWZARFGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)12-14-10(3)8-11(15-12)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine?
4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine has a molecular weight of 220.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 6485429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).