3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C10H15ClN4O2 — CID 114143769

IUPAC3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ncnc(N)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-6-10(16,2-3-17-6)4-13-9-7(11)8(12)14-5-15-9/h5-6,16H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyYMYLFQBLGXFNLA-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.66
Rot. Bonds3

About 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 114143769) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID114143769
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ncnc(N)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-6-10(16,2-3-17-6)4-13-9-7(11)8(12)14-5-15-9/h5-6,16H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyYMYLFQBLGXFNLA-UHFFFAOYSA-N
XLogP0.66
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 114143769) is 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ncnc(N)c1Cl.
What is the InChIKey of 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is YMYLFQBLGXFNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6-10(16,2-3-17-6)4-13-9-7(11)8(12)14-5-15-9/h5-6,16H,2-4H2,1H3,(H3,12,13,14,15).
What are the key properties of 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 258.71 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 114143769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).