2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C12H16N4OS — CID 106436448

IUPAC2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1nc(C)cc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C12H16N4OS/c1-8-5-11(16-12(13-2)15-8)14-6-10(17)9-3-4-18-7-9/h3-5,7,10,17H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCSKPWBLNWORNRH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.03
Rot. Bonds5

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

2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 106436448) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID106436448
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1nc(C)cc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C12H16N4OS/c1-8-5-11(16-12(13-2)15-8)14-6-10(17)9-3-4-18-7-9/h3-5,7,10,17H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCSKPWBLNWORNRH-UHFFFAOYSA-N
XLogP2.03
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 124670806
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 106436448) is 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CNc1nc(C)cc(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is CSKPWBLNWORNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-5-11(16-12(13-2)15-8)14-6-10(17)9-3-4-18-7-9/h3-5,7,10,17H,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 264.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).