4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C15H20N6 — CID 139023232

IUPAC4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ncncc3C)CC2)n1
InChIInChI=1S/C15H20N6/c1-11-9-16-10-17-14(11)20-4-6-21(7-5-20)15-18-12(2)8-13(3)19-15/h8-10H,4-7H2,1-3H3
InChIKeyCPOMPPDZCASXLL-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.52
Rot. Bonds2

About 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 139023232) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID139023232
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ncncc3C)CC2)n1
InChIInChI=1S/C15H20N6/c1-11-9-16-10-17-14(11)20-4-6-21(7-5-20)15-18-12(2)8-13(3)19-15/h8-10H,4-7H2,1-3H3
InChIKeyCPOMPPDZCASXLL-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine
CID 167814593
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 171997136
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 155974702
(3R)-3-methyl-1-(5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126704475
2-[[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 163346240
6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 163350137
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 138019808
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 139023232) is 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCN(c3ncncc3C)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is CPOMPPDZCASXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-9-16-10-17-14(11)20-4-6-21(7-5-20)15-18-12(2)8-13(3)19-15/h8-10H,4-7H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 284.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 139023232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).