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

C14H22ClN3OS — CID 80547172

IUPAC1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(Cl)nc(SC)n2)CC1
InChIInChI=1S/C14H22ClN3OS/c1-3-10-4-6-14(19,7-5-10)9-16-12-8-11(15)17-13(18-12)20-2/h8,10,19H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyDRKSTSAVPGONQA-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.60
Rot. Bonds5

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

1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 80547172) has the molecular formula C14H22ClN3OS and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID80547172
Molecular FormulaC14H22ClN3OS
Molecular Weight315.87 g/mol
Exact Mass315.12
IUPAC Name1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(Cl)nc(SC)n2)CC1
InChIInChI=1S/C14H22ClN3OS/c1-3-10-4-6-14(19,7-5-10)9-16-12-8-11(15)17-13(18-12)20-2/h8,10,19H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyDRKSTSAVPGONQA-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757222
4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80930969
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842902
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80648199
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65122923
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310
6-chloro-2-methylsulfanyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80546827

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 80547172) is 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cc(Cl)nc(SC)n2)CC1.
What is the InChIKey of 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is DRKSTSAVPGONQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3OS/c1-3-10-4-6-14(19,7-5-10)9-16-12-8-11(15)17-13(18-12)20-2/h8,10,19H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 315.87 g/mol, XLogP of 3.60, 5 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]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 80547172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).