N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine

C14H25N5O2S — CID 50947737

IUPACN-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1CCN(c2cc(C)nc(NCC)n2)CC1
InChIInChI=1S/C14H25N5O2S/c1-4-10-22(20,21)19-8-6-18(7-9-19)13-11-12(3)16-14(17-13)15-5-2/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyHOCOIFLIJJYWKV-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.08
Rot. Bonds6

About N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine

N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 50947737) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID50947737
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC NameN-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1CCN(c2cc(C)nc(NCC)n2)CC1
InChIInChI=1S/C14H25N5O2S/c1-4-10-22(20,21)19-8-6-18(7-9-19)13-11-12(3)16-14(17-13)15-5-2/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyHOCOIFLIJJYWKV-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 122351272
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047736
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047734
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351238
N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 53047728
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 56919709
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351198
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
N-ethyl-4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 56699594
N-ethyl-4-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122351275
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide
CID 121075385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine (CID 50947737) is N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine is CCCS(=O)(=O)N1CCN(c2cc(C)nc(NCC)n2)CC1.
What is the InChIKey of N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is HOCOIFLIJJYWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-4-10-22(20,21)19-8-6-18(7-9-19)13-11-12(3)16-14(17-13)15-5-2/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 327.45 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 50947737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).