1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C12H20N4OS — CID 80842902

IUPAC1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1cc(NCC2(O)CCCC2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-9-7-10(16-11(15-9)18-2)14-8-12(17)5-3-4-6-12/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyOVKIYDCIBXFZIY-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.96
Rot. Bonds5

About 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 80842902) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID80842902
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1cc(NCC2(O)CCCC2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-9-7-10(16-11(15-9)18-2)14-8-12(17)5-3-4-6-12/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyOVKIYDCIBXFZIY-UHFFFAOYSA-N
XLogP1.96
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313789
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103450
1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842622
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80547172
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132043

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 80842902) is 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CNc1cc(NCC2(O)CCCC2)nc(SC)n1.
What is the InChIKey of 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is OVKIYDCIBXFZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-13-9-7-10(16-11(15-9)18-2)14-8-12(17)5-3-4-6-12/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 268.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80842902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).