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

C12H22N4OS — CID 80780195

IUPAC2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(CC)CO)nc(SC)n1
InChIInChI=1S/C12H22N4OS/c1-4-6-13-10-7-11(14-9(5-2)8-17)16-12(15-10)18-3/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyXJVZIGPAVMQSCZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.20
Rot. Bonds8

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

2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 80780195) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID80780195
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(CC)CO)nc(SC)n1
InChIInChI=1S/C12H22N4OS/c1-4-6-13-10-7-11(14-9(5-2)8-17)16-12(15-10)18-3/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyXJVZIGPAVMQSCZ-UHFFFAOYSA-N
XLogP2.20
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
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 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 80780450
4-N-(1-cyclopropylbutan-2-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80835871
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
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
3-[2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311792
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80781855
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845107
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 80780195) is 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1cc(NC(CC)CO)nc(SC)n1.
What is the InChIKey of 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is XJVZIGPAVMQSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-6-13-10-7-11(14-9(5-2)8-17)16-12(15-10)18-3/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 270.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80780195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).