1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

C12H20ClN3OS — CID 80547202

IUPAC1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCSc1nc(Cl)cc(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C12H20ClN3OS/c1-8(2)6-12(3,17)7-14-10-5-9(13)15-11(16-10)18-4/h5,8,17H,6-7H2,1-4H3,(H,14,15,16)
InChIKeyUOSJJSVNENAPDW-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.06
Rot. Bonds6

About 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 80547202) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID80547202
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCSc1nc(Cl)cc(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C12H20ClN3OS/c1-8(2)6-12(3,17)7-14-10-5-9(13)15-11(16-10)18-4/h5,8,17H,6-7H2,1-4H3,(H,14,15,16)
InChIKeyUOSJJSVNENAPDW-UHFFFAOYSA-N
XLogP3.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642
2-chloro-6-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridine-4-carbonitrile
CID 83076843
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80850995
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80547085
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (CID 80547202) is 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is CSc1nc(Cl)cc(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is UOSJJSVNENAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3OS/c1-8(2)6-12(3,17)7-14-10-5-9(13)15-11(16-10)18-4/h5,8,17H,6-7H2,1-4H3,(H,14,15,16).
What are the key properties of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 289.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80547202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).