3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

C11H17N3O2 — CID 66331001

IUPAC3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCCOc1cc(NCC2CC(O)C2)ncn1
InChIInChI=1S/C11H17N3O2/c1-2-16-11-5-10(13-7-14-11)12-6-8-3-9(15)4-8/h5,7-9,15H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyBNBKIFAFTSNOHM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds5

About 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66331001) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66331001
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCCOc1cc(NCC2CC(O)C2)ncn1
InChIInChI=1S/C11H17N3O2/c1-2-16-11-5-10(13-7-14-11)12-6-8-3-9(15)4-8/h5,7-9,15H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyBNBKIFAFTSNOHM-UHFFFAOYSA-N
XLogP1.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 66331001) is 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is CCOc1cc(NCC2CC(O)C2)ncn1.
What is the InChIKey of 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is BNBKIFAFTSNOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-11-5-10(13-7-14-11)12-6-8-3-9(15)4-8/h5,7-9,15H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 223.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).