N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine

C13H23N5O2S — CID 80944351

IUPACN-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H23N5O2S/c1-4-5-11-15-12(14-2)10-13(16-11)17-6-8-18(9-7-17)21(3,19)20/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeySXKVAVYREYBATM-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.55
Rot. Bonds5

About N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine

N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80944351) 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)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80944351
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC NameN-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H23N5O2S/c1-4-5-11-15-12(14-2)10-13(16-11)17-6-8-18(9-7-17)21(3,19)20/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeySXKVAVYREYBATM-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine (CID 80944351) is N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is SXKVAVYREYBATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-4-5-11-15-12(14-2)10-13(16-11)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)-2-propylpyrimidin-4-amine?
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-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)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).