2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol

C12H20N4O2S — CID 106103450

IUPAC2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCNc1cc(NCC2(O)CCOC2C)nc(SC)n1
InChIInChI=1S/C12H20N4O2S/c1-8-12(17,4-5-18-8)7-14-10-6-9(13-2)15-11(16-10)19-3/h6,8,17H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyNDVPAJQDNBJPAI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.19
Rot. Bonds5

About 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol

2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 106103450) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID106103450
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCNc1cc(NCC2(O)CCOC2C)nc(SC)n1
InChIInChI=1S/C12H20N4O2S/c1-8-12(17,4-5-18-8)7-14-10-6-9(13-2)15-11(16-10)19-3/h6,8,17H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyNDVPAJQDNBJPAI-UHFFFAOYSA-N
XLogP1.19
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol (CID 106103450) is 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol is CNc1cc(NCC2(O)CCOC2C)nc(SC)n1.
What is the InChIKey of 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is NDVPAJQDNBJPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-12(17,4-5-18-8)7-14-10-6-9(13-2)15-11(16-10)19-3/h6,8,17H,4-5,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 284.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).