5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine

C12H22N4 — CID 143698801

IUPAC5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine
SMILESCC1=CNC(N2C[C@@H](C)N(C)[C@@H](C)C2)=NC1
InChIInChI=1S/C12H22N4/c1-9-5-13-12(14-6-9)16-7-10(2)15(4)11(3)8-16/h5,10-11H,6-8H2,1-4H3,(H,13,14)/t10-,11+
InChIKeyKWADUHXOANAGOS-PHIMTYICSA-N
MW222.34 g/mol
LogP0.87
Rot. Bonds

About 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine

5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine (PubChem CID 143698801) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine
PubChem CID143698801
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine
SMILESCC1=CNC(N2C[C@@H](C)N(C)[C@@H](C)C2)=NC1
InChIInChI=1S/C12H22N4/c1-9-5-13-12(14-6-9)16-7-10(2)15(4)11(3)8-16/h5,10-11H,6-8H2,1-4H3,(H,13,14)/t10-,11+
InChIKeyKWADUHXOANAGOS-PHIMTYICSA-N
XLogP0.87
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
1-(5-Ethyl-1,4-dihydropyrimidin-2-yl)piperidin-4-amine
CID 132002626
5-Methyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 145274823
Ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 156641310
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine
CID 171070128
1-[2-(4-Ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine
CID 110980217
2-Methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-prop-2-enylguanidine
CID 110981207
1-[2-(4-Ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111057242
1-[4-(4-Methylpiperazin-1-yl)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060209
1-[4-(4-Ethylpiperazin-1-yl)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060409
1-[2-[Butan-2-yl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111096370

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine?
The IUPAC name of 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine (CID 143698801) is 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine.
What is the SMILES notation for 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine?
The canonical SMILES for 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine is CC1=CNC(N2C[C@@H](C)N(C)[C@@H](C)C2)=NC1.
What is the InChIKey of 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine?
The InChIKey is KWADUHXOANAGOS-PHIMTYICSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-5-13-12(14-6-9)16-7-10(2)15(4)11(3)8-16/h5,10-11H,6-8H2,1-4H3,(H,13,14)/t10-,11+.
What are the key properties of 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine?
5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine has a molecular weight of 222.34 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine is sourced from PubChem (CID 143698801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).