4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine

C13H22N4 — CID 23610303

IUPAC4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-4-5-12-14-11(2)10-13(15-12)17-8-6-16(3)7-9-17/h10H,4-9H2,1-3H3
InChIKeyBIKVDJQIBMRATE-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine

4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine (PubChem CID 23610303) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine
PubChem CID23610303
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-4-5-12-14-11(2)10-13(15-12)17-8-6-16(3)7-9-17/h10H,4-9H2,1-3H3
InChIKeyBIKVDJQIBMRATE-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine?
The IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine (CID 23610303) is 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine?
The canonical SMILES for 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine is CCCc1nc(C)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine?
The InChIKey is BIKVDJQIBMRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-5-12-14-11(2)10-13(15-12)17-8-6-16(3)7-9-17/h10H,4-9H2,1-3H3.
What are the key properties of 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine?
4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylpiperazin-1-yl)-2-propylpyrimidine is sourced from PubChem (CID 23610303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).