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

C12H21N3OS — CID 114164755

IUPAC2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1cc(SC)ncn1
InChIInChI=1S/C12H21N3OS/c1-4-12(5-2,8-16)7-13-10-6-11(17-3)15-9-14-10/h6,9,16H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeySUEOEKRLNLDGAZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.41
Rot. Bonds7

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

2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol (PubChem CID 114164755) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
PubChem CID114164755
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1cc(SC)ncn1
InChIInChI=1S/C12H21N3OS/c1-4-12(5-2,8-16)7-13-10-6-11(17-3)15-9-14-10/h6,9,16H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeySUEOEKRLNLDGAZ-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butanoic acid
CID 106972325
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 106973096
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol (CID 114164755) is 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1cc(SC)ncn1.
What is the InChIKey of 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The InChIKey is SUEOEKRLNLDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-12(5-2,8-16)7-13-10-6-11(17-3)15-9-14-10/h6,9,16H,4-5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 114164755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).