6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine

C12H21N5O — CID 114088565

IUPAC6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCN(C)CC2C)c1OC
InChIInChI=1S/C12H21N5O/c1-9-7-16(3)5-6-17(9)12-10(18-4)11(13-2)14-8-15-12/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyAREWJMWZGLNYJR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.67
Rot. Bonds3

About 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine

6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine (PubChem CID 114088565) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine
PubChem CID114088565
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCN(C)CC2C)c1OC
InChIInChI=1S/C12H21N5O/c1-9-7-16(3)5-6-17(9)12-10(18-4)11(13-2)14-8-15-12/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyAREWJMWZGLNYJR-UHFFFAOYSA-N
XLogP0.67
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590175
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
N-ethyl-4-[5-methoxy-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104938
1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674660
N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541822
3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 97094547
methyl 4-(2,4-dimethyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 114214778
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine
CID 102729224
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 175880712
3-(2,4-dimethylpiperazin-1-yl)pyrazine-2-carbothioamide
CID 114086675
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine (CID 114088565) is 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine is CNc1ncnc(N2CCN(C)CC2C)c1OC.
What is the InChIKey of 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is AREWJMWZGLNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-7-16(3)5-6-17(9)12-10(18-4)11(13-2)14-8-15-12/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine?
6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114088565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).