1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C9H14ClN3OS — CID 75511398

IUPAC1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ncncc1Cl
InChIInChI=1S/C9H14ClN3OS/c1-9(14,5-15-2)4-12-8-7(10)3-11-6-13-8/h3,6,14H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyDDLJHGOIOJQJHC-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.66
Rot. Bonds5

About 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 75511398) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID75511398
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ncncc1Cl
InChIInChI=1S/C9H14ClN3OS/c1-9(14,5-15-2)4-12-8-7(10)3-11-6-13-8/h3,6,14H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyDDLJHGOIOJQJHC-UHFFFAOYSA-N
XLogP1.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 133464635
1-[(6-chloro-5-nitropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 114163835
1-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248982
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248452
2-methyl-1-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-ol
CID 103731229
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
1-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249084
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457
1-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244013
2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
CID 103820180

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 75511398) is 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1ncncc1Cl.
What is the InChIKey of 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is DDLJHGOIOJQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-9(14,5-15-2)4-12-8-7(10)3-11-6-13-8/h3,6,14H,4-5H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 247.75 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 75511398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).