3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

C11H17N3O2 — CID 66326326

IUPAC3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCOc1cc(NCC2CC(O)C2)nc(C)n1
InChIInChI=1S/C11H17N3O2/c1-7-13-10(5-11(14-7)16-2)12-6-8-3-9(15)4-8/h5,8-9,15H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyCXEMJGFZFHHWHU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.98
Rot. Bonds4

About 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66326326) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66326326
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCOc1cc(NCC2CC(O)C2)nc(C)n1
InChIInChI=1S/C11H17N3O2/c1-7-13-10(5-11(14-7)16-2)12-6-8-3-9(15)4-8/h5,8-9,15H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyCXEMJGFZFHHWHU-UHFFFAOYSA-N
XLogP0.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 106126705
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 66326324
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324847
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956893
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 66326326) is 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is COc1cc(NCC2CC(O)C2)nc(C)n1.
What is the InChIKey of 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is CXEMJGFZFHHWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-13-10(5-11(14-7)16-2)12-6-8-3-9(15)4-8/h5,8-9,15H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 223.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66326326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).