2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

C13H22N4O2 — CID 102640110

IUPAC2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCOCc1nc(N)cc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C13H22N4O2/c1-17(9-5-3-4-6-10(9)18)13-7-11(14)15-12(16-13)8-19-2/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyAPQYTRKQTGYFLX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.94
Rot. Bonds4

About 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640110) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640110
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCOCc1nc(N)cc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C13H22N4O2/c1-17(9-5-3-4-6-10(9)18)13-7-11(14)15-12(16-13)8-19-2/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyAPQYTRKQTGYFLX-UHFFFAOYSA-N
XLogP0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102640110) is 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is COCc1nc(N)cc(N(C)C2CCCCC2O)n1.
What is the InChIKey of 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is APQYTRKQTGYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17(9-5-3-4-6-10(9)18)13-7-11(14)15-12(16-13)8-19-2/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).