3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol

C10H17N3OS — CID 80890129

IUPAC3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
SMILESCNc1cc(SC(C)CCO)nc(C)n1
InChIInChI=1S/C10H17N3OS/c1-7(4-5-14)15-10-6-9(11-3)12-8(2)13-10/h6-7,14H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHOQNGZKOEHGHIY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.69
Rot. Bonds5

About 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol

3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol (PubChem CID 80890129) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
PubChem CID80890129
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
SMILESCNc1cc(SC(C)CCO)nc(C)n1
InChIInChI=1S/C10H17N3OS/c1-7(4-5-14)15-10-6-9(11-3)12-8(2)13-10/h6-7,14H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHOQNGZKOEHGHIY-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80891111
3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
3-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964135
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780227
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 71995792
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 114869444
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
4-(4-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114578927
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80964672
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
CID 80890486

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol (CID 80890129) is 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol is CNc1cc(SC(C)CCO)nc(C)n1.
What is the InChIKey of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
The InChIKey is HOQNGZKOEHGHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(4-5-14)15-10-6-9(11-3)12-8(2)13-10/h6-7,14H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 80890129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).