2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

C12H21N3OS — CID 106973440

IUPAC2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(SC)ncn1
InChIInChI=1S/C12H21N3OS/c1-4-10(5-2)15(6-7-16)11-8-12(17-3)14-9-13-11/h8-10,16H,4-7H2,1-3H3
InChIKeyVFKMZAKOOGNUGK-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.19
Rot. Bonds7

About 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 106973440) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID106973440
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(SC)ncn1
InChIInChI=1S/C12H21N3OS/c1-4-10(5-2)15(6-7-16)11-8-12(17-3)14-9-13-11/h8-10,16H,4-7H2,1-3H3
InChIKeyVFKMZAKOOGNUGK-UHFFFAOYSA-N
XLogP2.19
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810507
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 64829120
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
CID 62131662
N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973654
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 106973458

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 106973440) is 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(SC)ncn1.
What is the InChIKey of 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is VFKMZAKOOGNUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-10(5-2)15(6-7-16)11-8-12(17-3)14-9-13-11/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 255.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 106973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).