2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C17H16ClN3OS — CID 143851562

IUPAC2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCc1ccc(-c2cc(NCC(O)c3ccsc3)ncn2)cc1Cl
InChIInChI=1S/C17H16ClN3OS/c1-11-2-3-12(6-14(11)18)15-7-17(21-10-20-15)19-8-16(22)13-4-5-23-9-13/h2-7,9-10,16,22H,8H2,1H3,(H,19,20,21)
InChIKeyOTVGOLVXUJOOBK-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.31
Rot. Bonds5

About 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 143851562) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID143851562
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCc1ccc(-c2cc(NCC(O)c3ccsc3)ncn2)cc1Cl
InChIInChI=1S/C17H16ClN3OS/c1-11-2-3-12(6-14(11)18)15-7-17(21-10-20-15)19-8-16(22)13-4-5-23-9-13/h2-7,9-10,16,22H,8H2,1H3,(H,19,20,21)
InChIKeyOTVGOLVXUJOOBK-UHFFFAOYSA-N
XLogP4.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
[(1R)-2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethyl] 2,2,2-trifluoroacetate
CID 68989169
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
(1S)-N'-[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]-1-(4-pyridin-2-ylthiophen-2-yl)ethane-1,2-diamine
CID 67967821
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
1-(4-methylphenyl)-2-[[6-[3-(trifluoromethyl)-1,2-benzoxazol-6-yl]pyrimidin-4-yl]amino]ethanol
CID 143851574

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 143851562) is 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is Cc1ccc(-c2cc(NCC(O)c3ccsc3)ncn2)cc1Cl.
What is the InChIKey of 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is OTVGOLVXUJOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-11-2-3-12(6-14(11)18)15-7-17(21-10-20-15)19-8-16(22)13-4-5-23-9-13/h2-7,9-10,16,22H,8H2,1H3,(H,19,20,21).
What are the key properties of 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 345.86 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 143851562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).