3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C12H22N4OS — CID 106163431

IUPAC3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCCc1nc(N)c(C)c(NC(C)C(CO)SC)n1
InChIInChI=1S/C12H22N4OS/c1-5-10-15-11(13)7(2)12(16-10)14-8(3)9(6-17)18-4/h8-9,17H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyPIDZKAWNVNJTOI-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.45
Rot. Bonds6

About 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163431) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163431
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCCc1nc(N)c(C)c(NC(C)C(CO)SC)n1
InChIInChI=1S/C12H22N4OS/c1-5-10-15-11(13)7(2)12(16-10)14-8(3)9(6-17)18-4/h8-9,17H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyPIDZKAWNVNJTOI-UHFFFAOYSA-N
XLogP1.45
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106163431) is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CCc1nc(N)c(C)c(NC(C)C(CO)SC)n1.
What is the InChIKey of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is PIDZKAWNVNJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-10-15-11(13)7(2)12(16-10)14-8(3)9(6-17)18-4/h8-9,17H,5-6H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 270.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).