N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine

C13H23N5O2S — CID 80810895

IUPACN-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H23N5O2S/c1-4-5-11-12(14-2)15-10-16-13(11)17-6-8-18(9-7-17)21(3,19)20/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyIAQASTUVTNYFFQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.55
Rot. Bonds5

About N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine

N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine (PubChem CID 80810895) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine
PubChem CID80810895
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC NameN-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H23N5O2S/c1-4-5-11-12(14-2)15-10-16-13(11)17-6-8-18(9-7-17)21(3,19)20/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyIAQASTUVTNYFFQ-UHFFFAOYSA-N
XLogP0.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858809
N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine
CID 80836268
1-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629646
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80907367
ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 107877825
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80836987

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine (CID 80810895) is N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine?
The InChIKey is IAQASTUVTNYFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-4-5-11-12(14-2)15-10-16-13(11)17-6-8-18(9-7-17)21(3,19)20/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine?
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine has a molecular weight of 313.43 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80810895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).