2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine

C16H22N4O2S — CID 66649633

IUPAC2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCCCS(=O)(=O)c1cccc(Nc2nc(NCC)ncc2C)c1
InChIInChI=1S/C16H22N4O2S/c1-4-9-23(21,22)14-8-6-7-13(10-14)19-15-12(3)11-18-16(20-15)17-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyRRQOJDSEHKAERS-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.14
Rot. Bonds7

About 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 66649633) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID66649633
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCCCS(=O)(=O)c1cccc(Nc2nc(NCC)ncc2C)c1
InChIInChI=1S/C16H22N4O2S/c1-4-9-23(21,22)14-8-6-7-13(10-14)19-15-12(3)11-18-16(20-15)17-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyRRQOJDSEHKAERS-UHFFFAOYSA-N
XLogP3.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
CID 160744996
N-methyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 91531044
4-N-(4-bromo-3-fluorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80843555
N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 121475823
4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine
CID 58412680
3-[[4-[4-[(ethylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 69262625
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-tert-butylbenzenesulfonamide
CID 66647791
5-[[5-methyl-2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]-3-propyl-1,3-benzoxazol-2-one
CID 66659360
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine (CID 66649633) is 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine is CCCS(=O)(=O)c1cccc(Nc2nc(NCC)ncc2C)c1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is RRQOJDSEHKAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-9-23(21,22)14-8-6-7-13(10-14)19-15-12(3)11-18-16(20-15)17-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 334.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66649633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).