2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C11H13ClN4OS — CID 114188670

IUPAC2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1ncc(Cl)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C11H13ClN4OS/c1-13-11-15-4-8(12)10(16-11)14-5-9(17)7-2-3-18-6-7/h2-4,6,9,17H,5H2,1H3,(H2,13,14,15,16)
InChIKeyVYMCUSBINHMMGH-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.38
Rot. Bonds5

About 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 114188670) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID114188670
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1ncc(Cl)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C11H13ClN4OS/c1-13-11-15-4-8(12)10(16-11)14-5-9(17)7-2-3-18-6-7/h2-4,6,9,17H,5H2,1H3,(H2,13,14,15,16)
InChIKeyVYMCUSBINHMMGH-UHFFFAOYSA-N
XLogP2.38
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 114188670) is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CNc1ncc(Cl)c(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is VYMCUSBINHMMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c1-13-11-15-4-8(12)10(16-11)14-5-9(17)7-2-3-18-6-7/h2-4,6,9,17H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 284.77 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 114188670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).