2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

C11H16ClN3OS — CID 114757222

IUPAC2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESCSc1nc(Cl)cc(NCC2(CCO)CC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-17-10-14-8(12)6-9(15-10)13-7-11(2-3-11)4-5-16/h6,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyGPOFDKPSCUDMIB-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114757222) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114757222
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESCSc1nc(Cl)cc(NCC2(CCO)CC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-17-10-14-8(12)6-9(15-10)13-7-11(2-3-11)4-5-16/h6,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyGPOFDKPSCUDMIB-UHFFFAOYSA-N
XLogP2.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80547172
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313789
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759552
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-chloro-N-(1-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546866
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (CID 114757222) is 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is CSc1nc(Cl)cc(NCC2(CCO)CC2)n1.
What is the InChIKey of 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is GPOFDKPSCUDMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-17-10-14-8(12)6-9(15-10)13-7-11(2-3-11)4-5-16/h6,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 273.79 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114757222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).