3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol

C11H19N3O2S — CID 80995776

IUPAC3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCCCc1nc(N)c(C)c(SCC(O)CO)n1
InChIInChI=1S/C11H19N3O2S/c1-3-4-9-13-10(12)7(2)11(14-9)17-6-8(16)5-15/h8,15-16H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyPKOWOVCUBCQBQR-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.77
Rot. Bonds6

About 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol

3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 80995776) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID80995776
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCCCc1nc(N)c(C)c(SCC(O)CO)n1
InChIInChI=1S/C11H19N3O2S/c1-3-4-9-13-10(12)7(2)11(14-9)17-6-8(16)5-15/h8,15-16H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyPKOWOVCUBCQBQR-UHFFFAOYSA-N
XLogP0.77
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80995079
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
3-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80994777
3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
CID 79682727
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
3-[(3-amino-6-methyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 81138238
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80978749
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163416
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 80995776) is 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol is CCCc1nc(N)c(C)c(SCC(O)CO)n1.
What is the InChIKey of 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is PKOWOVCUBCQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-4-9-13-10(12)7(2)11(14-9)17-6-8(16)5-15/h8,15-16H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 257.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 80995776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).