5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

C13H24N4OS — CID 106138292

IUPAC5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1cc(NCCCC(C)O)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-4-7-14-11-9-12(17-13(16-11)19-3)15-8-5-6-10(2)18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyVAPMLBWOCURWEM-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.59
Rot. Bonds9

About 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 106138292) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID106138292
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1cc(NCCCC(C)O)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-4-7-14-11-9-12(17-13(16-11)19-3)15-8-5-6-10(2)18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyVAPMLBWOCURWEM-UHFFFAOYSA-N
XLogP2.59
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80831312
3-[2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311792
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 106138292) is 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is CCCNc1cc(NCCCC(C)O)nc(SC)n1.
What is the InChIKey of 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is VAPMLBWOCURWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-7-14-11-9-12(17-13(16-11)19-3)15-8-5-6-10(2)18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 284.43 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 106138292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).