3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C17H27N3O2 — CID 91761732

IUPAC3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCOCC1(CNc2cc(C3CC(O)C3)nc(C)n2)CCCC1
InChIInChI=1S/C17H27N3O2/c1-12-19-15(13-7-14(21)8-13)9-16(20-12)18-10-17(11-22-2)5-3-4-6-17/h9,13-14,21H,3-8,10-11H2,1-2H3,(H,18,19,20)
InChIKeyFAQLOEYFURCCFP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.64
Rot. Bonds6

About 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91761732) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91761732
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCOCC1(CNc2cc(C3CC(O)C3)nc(C)n2)CCCC1
InChIInChI=1S/C17H27N3O2/c1-12-19-15(13-7-14(21)8-13)9-16(20-12)18-10-17(11-22-2)5-3-4-6-17/h9,13-14,21H,3-8,10-11H2,1-2H3,(H,18,19,20)
InChIKeyFAQLOEYFURCCFP-UHFFFAOYSA-N
XLogP2.64
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91761732) is 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is COCC1(CNc2cc(C3CC(O)C3)nc(C)n2)CCCC1.
What is the InChIKey of 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is FAQLOEYFURCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-19-15(13-7-14(21)8-13)9-16(20-12)18-10-17(11-22-2)5-3-4-6-17/h9,13-14,21H,3-8,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-(methoxymethyl)cyclopentyl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91761732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).