2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol

C19H21N5O3S — CID 71125420

IUPAC2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol
SMILESCS(=O)(=O)Cc1ccc(Nc2nccc(NCC(O)c3ccccn3)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-28(26,27)13-14-5-7-15(8-6-14)23-19-21-11-9-18(24-19)22-12-17(25)16-4-2-3-10-20-16/h2-11,17,25H,12-13H2,1H3,(H2,21,22,23,24)
InChIKeyNTDSYGRVLPLSFH-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.31
Rot. Bonds8

About 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol

2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol (PubChem CID 71125420) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol
PubChem CID71125420
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol
SMILESCS(=O)(=O)Cc1ccc(Nc2nccc(NCC(O)c3ccccn3)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-28(26,27)13-14-5-7-15(8-6-14)23-19-21-11-9-18(24-19)22-12-17(25)16-4-2-3-10-20-16/h2-11,17,25H,12-13H2,1H3,(H2,21,22,23,24)
InChIKeyNTDSYGRVLPLSFH-UHFFFAOYSA-N
XLogP2.31
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol with MolForge

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Related Compounds

4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 69194326
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
CID 75457516
1-(3-methoxyphenyl)-2-[[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824538
(2,2,2-trifluoroacetyl) 4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoate
CID 87729719
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262
3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 24823180
2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
CID 82044991
2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893245
4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
methyl 4-[[4-(3-methylbutylamino)pyrimidin-2-yl]amino]benzoate
CID 112900206

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol (CID 71125420) is 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol is CS(=O)(=O)Cc1ccc(Nc2nccc(NCC(O)c3ccccn3)n2)cc1.
What is the InChIKey of 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol?
The InChIKey is NTDSYGRVLPLSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-28(26,27)13-14-5-7-15(8-6-14)23-19-21-11-9-18(24-19)22-12-17(25)16-4-2-3-10-20-16/h2-11,17,25H,12-13H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol?
2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol has a molecular weight of 399.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol is sourced from PubChem (CID 71125420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).