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

C12H20N4OS — CID 114954053

IUPAC1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCSc1nc(N)cc(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-16(8-12(17)5-3-4-6-12)10-7-9(13)14-11(15-10)18-2/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15)
InChIKeyATRHMBOLWOFNNR-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.52
Rot. Bonds4

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

1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114954053) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114954053
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCSc1nc(N)cc(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-16(8-12(17)5-3-4-6-12)10-7-9(13)14-11(15-10)18-2/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15)
InChIKeyATRHMBOLWOFNNR-UHFFFAOYSA-N
XLogP1.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
4-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954261
1-[[(6-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953942
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
CID 114949848
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 105421075
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794822
4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80776688

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114954053) is 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is CSc1nc(N)cc(N(C)CC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is ATRHMBOLWOFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16(8-12(17)5-3-4-6-12)10-7-9(13)14-11(15-10)18-2/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 268.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114954053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).