6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine

C13H24N4O2S — CID 80987408

IUPAC6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCCS(C)(=O)=O)n1
InChIInChI=1S/C13H24N4O2S/c1-5-7-11-16-12(14-6-2)10(3)13(17-11)15-8-9-20(4,18)19/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyRZYLOQSNRLITSU-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.63
Rot. Bonds8

About 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80987408) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80987408
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCCS(C)(=O)=O)n1
InChIInChI=1S/C13H24N4O2S/c1-5-7-11-16-12(14-6-2)10(3)13(17-11)15-8-9-20(4,18)19/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyRZYLOQSNRLITSU-UHFFFAOYSA-N
XLogP1.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791800
6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80972477
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343430
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343532
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
3-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80982715
methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986480
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine (CID 80987408) is 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NCCS(C)(=O)=O)n1.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is RZYLOQSNRLITSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-7-11-16-12(14-6-2)10(3)13(17-11)15-8-9-20(4,18)19/h5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 300.43 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).