6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine

C17H17N5O2S — CID 159704122

IUPAC6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESCCS(=O)(=O)c1cccc(Nc2cc(Nc3ccccn3)ncn2)c1
InChIInChI=1S/C17H17N5O2S/c1-2-25(23,24)14-7-5-6-13(10-14)21-16-11-17(20-12-19-16)22-15-8-3-4-9-18-15/h3-12H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyMXZMBYZNMNXKHZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.15
Rot. Bonds6

About 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine

6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 159704122) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID159704122
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESCCS(=O)(=O)c1cccc(Nc2cc(Nc3ccccn3)ncn2)c1
InChIInChI=1S/C17H17N5O2S/c1-2-25(23,24)14-7-5-6-13(10-14)21-16-11-17(20-12-19-16)22-15-8-3-4-9-18-15/h3-12H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyMXZMBYZNMNXKHZ-UHFFFAOYSA-N
XLogP3.15
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3-ethylsulfonylphenyl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 159359296
3-[[6-(3-ethylsulfonylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 159405176
4-N-(3-ethylsulfonylphenyl)-6-N-(4-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 158635490
6-N-(3-ethylsulfonylphenyl)-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 159988066
4-N-(3,4-dimethoxyphenyl)-6-N-(3-ethylsulfonylphenyl)pyrimidine-4,6-diamine
CID 162160689
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
6-[[6-(3-ethylsulfonylanilino)pyrimidin-4-yl]amino]-3H-1-benzofuran-2-one
CID 147671928
N-methyl-3-[[6-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 53330722
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264794
3-[[6-[3-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 67345642
3-[[6-(4-bromoanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 71138697

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine (CID 159704122) is 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine is CCS(=O)(=O)c1cccc(Nc2cc(Nc3ccccn3)ncn2)c1.
What is the InChIKey of 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is MXZMBYZNMNXKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-25(23,24)14-7-5-6-13(10-14)21-16-11-17(20-12-19-16)22-15-8-3-4-9-18-15/h3-12H,2H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 355.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 159704122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).