4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine

C13H22N4O — CID 112635446

IUPAC4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(N2CCNCC2C)n1
InChIInChI=1S/C13H22N4O/c1-9(2)18-12-7-10(3)15-13(16-12)17-6-5-14-8-11(17)4/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyHVWAAGCEVRQQKM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine

4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine (PubChem CID 112635446) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
PubChem CID112635446
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(N2CCNCC2C)n1
InChIInChI=1S/C13H22N4O/c1-9(2)18-12-7-10(3)15-13(16-12)17-6-5-14-8-11(17)4/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyHVWAAGCEVRQQKM-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine (CID 112635446) is 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine is Cc1cc(OC(C)C)nc(N2CCNCC2C)n1.
What is the InChIKey of 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
The InChIKey is HVWAAGCEVRQQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)18-12-7-10(3)15-13(16-12)17-6-5-14-8-11(17)4/h7,9,11,14H,5-6,8H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine has a molecular weight of 250.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 112635446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).