1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide

C20H22N4O2S — CID 145497672

IUPAC1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide
SMILESCCOc1ccccc1-c1cc(Nc2ccc(CS(=O)NC)cc2)ncn1
InChIInChI=1S/C20H22N4O2S/c1-3-26-19-7-5-4-6-17(19)18-12-20(23-14-22-18)24-16-10-8-15(9-11-16)13-27(25)21-2/h4-12,14,21H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyQCGFBUYSKRSDLV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.67
Rot. Bonds8

About 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide

1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide (PubChem CID 145497672) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide.

Molecular Properties

Compound Name1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide
PubChem CID145497672
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide
SMILESCCOc1ccccc1-c1cc(Nc2ccc(CS(=O)NC)cc2)ncn1
InChIInChI=1S/C20H22N4O2S/c1-3-26-19-7-5-4-6-17(19)18-12-20(23-14-22-18)24-16-10-8-15(9-11-16)13-27(25)21-2/h4-12,14,21H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyQCGFBUYSKRSDLV-UHFFFAOYSA-N
XLogP3.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
CID 144580770
N-[3-[(tert-butylamino)sulfanylmethyl]phenyl]-6-(2-ethoxyphenyl)pyrimidin-4-amine
CID 145497735
1-[3-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]butane-1-sulfonamide
CID 67609447
6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine
CID 42606877
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791
6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866298
3-amino-3-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]propanamide
CID 68911475
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide
CID 163664210
N-cyclopentyl-1-[4-[[6-(2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25101280
3-N-[ethoxy(ethyl)phosphoryl]-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzene-1,3-diamine
CID 90656365
[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] 2,2-dimethylpropanoate
CID 174930706
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide?
The IUPAC name of 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide (CID 145497672) is 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide.
What is the SMILES notation for 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide?
The canonical SMILES for 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide is CCOc1ccccc1-c1cc(Nc2ccc(CS(=O)NC)cc2)ncn1.
What is the InChIKey of 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide?
The InChIKey is QCGFBUYSKRSDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-26-19-7-5-4-6-17(19)18-12-20(23-14-22-18)24-16-10-8-15(9-11-16)13-27(25)21-2/h4-12,14,21H,3,13H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide?
1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide has a molecular weight of 382.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide is sourced from PubChem (CID 145497672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).