3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol

C13H24N4O2 — CID 123389902

IUPAC3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol
SMILESCCCCC(CCO)CNc1nc(N)ncc1OC
InChIInChI=1S/C13H24N4O2/c1-3-4-5-10(6-7-18)8-15-12-11(19-2)9-16-13(14)17-12/h9-10,18H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGYZJIMSTAUHQGH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.67
Rot. Bonds9

About 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol

3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol (PubChem CID 123389902) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol.

Molecular Properties

Compound Name3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol
PubChem CID123389902
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol
SMILESCCCCC(CCO)CNc1nc(N)ncc1OC
InChIInChI=1S/C13H24N4O2/c1-3-4-5-10(6-7-18)8-15-12-11(19-2)9-16-13(14)17-12/h9-10,18H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGYZJIMSTAUHQGH-UHFFFAOYSA-N
XLogP1.67
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol?
The IUPAC name of 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol (CID 123389902) is 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol.
What is the SMILES notation for 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol?
The canonical SMILES for 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol is CCCCC(CCO)CNc1nc(N)ncc1OC.
What is the InChIKey of 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol?
The InChIKey is GYZJIMSTAUHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-4-5-10(6-7-18)8-15-12-11(19-2)9-16-13(14)17-12/h9-10,18H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol?
3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-5-methoxypyrimidin-4-yl)amino]methyl]heptan-1-ol is sourced from PubChem (CID 123389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).