3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol

C12H22N4OS — CID 106179091

IUPAC3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(NC)nc(SC)n1
InChIInChI=1S/C12H22N4OS/c1-5-12(2,6-7-17)16-10-8-9(13-3)14-11(15-10)18-4/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyBVKIGOKDIUIFCP-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.20
Rot. Bonds7

About 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol

3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 106179091) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol
PubChem CID106179091
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(NC)nc(SC)n1
InChIInChI=1S/C12H22N4OS/c1-5-12(2,6-7-17)16-10-8-9(13-3)14-11(15-10)18-4/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyBVKIGOKDIUIFCP-UHFFFAOYSA-N
XLogP2.20
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 80780450
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179542
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol (CID 106179091) is 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol is CCC(C)(CCO)Nc1cc(NC)nc(SC)n1.
What is the InChIKey of 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is BVKIGOKDIUIFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-12(2,6-7-17)16-10-8-9(13-3)14-11(15-10)18-4/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol?
3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 270.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 106179091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).