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

C12H18ClN3OS — CID 114148540

IUPAC3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCSc1nc(Cl)cc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C12H18ClN3OS/c1-18-12-15-10(13)6-11(16-12)14-7-8-3-2-4-9(17)5-8/h6,8-9,17H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyYVTRAWMOHUGXDQ-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.81
Rot. Bonds4

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

3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 114148540) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID114148540
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCSc1nc(Cl)cc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C12H18ClN3OS/c1-18-12-15-10(13)6-11(16-12)14-7-8-3-2-4-9(17)5-8/h6,8-9,17H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyYVTRAWMOHUGXDQ-UHFFFAOYSA-N
XLogP2.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138701
6-chloro-2-methylsulfanyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80546827
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
6-chloro-2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643194
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137198
3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137350
1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80547172

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 114148540) is 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CSc1nc(Cl)cc(NCC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YVTRAWMOHUGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-18-12-15-10(13)6-11(16-12)14-7-8-3-2-4-9(17)5-8/h6,8-9,17H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 287.82 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114148540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).