4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol

C13H24N4OS — CID 80852755

IUPAC4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NC(C)CCCO)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-4-7-14-11-9-12(17-13(16-11)19-3)15-10(2)6-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyFDSSEOSUUDVINE-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.59
Rot. Bonds9

About 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol

4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 80852755) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID80852755
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NC(C)CCCO)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-4-7-14-11-9-12(17-13(16-11)19-3)15-10(2)6-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyFDSSEOSUUDVINE-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

Analyze 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
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
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80800383
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 80852755) is 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol is CCCNc1cc(NC(C)CCCO)nc(SC)n1.
What is the InChIKey of 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is FDSSEOSUUDVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-7-14-11-9-12(17-13(16-11)19-3)15-10(2)6-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-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 4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 80852755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).