1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol

C9H14ClN3O2S — CID 80547085

IUPAC1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(Cl)nc(SC)n1
InChIInChI=1S/C9H14ClN3O2S/c1-15-5-6(14)4-11-8-3-7(10)12-9(13-8)16-2/h3,6,14H,4-5H2,1-2H3,(H,11,12,13)
InChIKeySYXFTFGGHNLWLC-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.27
Rot. Bonds6

About 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol

1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 80547085) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID80547085
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(Cl)nc(SC)n1
InChIInChI=1S/C9H14ClN3O2S/c1-15-5-6(14)4-11-8-3-7(10)12-9(13-8)16-2/h3,6,14H,4-5H2,1-2H3,(H,11,12,13)
InChIKeySYXFTFGGHNLWLC-UHFFFAOYSA-N
XLogP1.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
CID 113493058
6-chloro-N-(2-ethylhexyl)-2-methylsulfanylpyrimidin-4-amine
CID 114004374
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 78993257
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80547202
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea
CID 4275900

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (CID 80547085) is 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1cc(Cl)nc(SC)n1.
What is the InChIKey of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is SYXFTFGGHNLWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-15-5-6(14)4-11-8-3-7(10)12-9(13-8)16-2/h3,6,14H,4-5H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 263.75 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80547085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).