3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol

C10H17N3OS — CID 106973053

IUPAC3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3OS/c1-3-8(4-5-14)13-9-6-10(15-2)12-7-11-9/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyYAIDZPZPMRHUHT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.77
Rot. Bonds6

About 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol

3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 106973053) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID106973053
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3OS/c1-3-8(4-5-14)13-9-6-10(15-2)12-7-11-9/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyYAIDZPZPMRHUHT-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
5,5-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]hexanoic acid
CID 106972354
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 106972987

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol (CID 106973053) is 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol is CCC(CCO)Nc1cc(SC)ncn1.
What is the InChIKey of 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is YAIDZPZPMRHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-8(4-5-14)13-9-6-10(15-2)12-7-11-9/h6-8,14H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol?
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 106973053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).