1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol

C11H20N4OS — CID 113493058

IUPAC1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1cc(NCC(O)CC)nc(SC)n1
InChIInChI=1S/C11H20N4OS/c1-4-8(16)7-13-10-6-9(12-5-2)14-11(15-10)17-3/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyMAFHOYHALILOOS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.81
Rot. Bonds7

About 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol

1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol (PubChem CID 113493058) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
PubChem CID113493058
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1cc(NCC(O)CC)nc(SC)n1
InChIInChI=1S/C11H20N4OS/c1-4-8(16)7-13-10-6-9(12-5-2)14-11(15-10)17-3/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyMAFHOYHALILOOS-UHFFFAOYSA-N
XLogP1.81
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80547085
6-N-ethyl-2-methylsulfanyl-4-N-(4-methylsulfanylbutyl)pyrimidine-4,6-diamine
CID 113488426
[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol (CID 113493058) is 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol is CCNc1cc(NCC(O)CC)nc(SC)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is MAFHOYHALILOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-8(16)7-13-10-6-9(12-5-2)14-11(15-10)17-3/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol?
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 256.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 113493058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).