3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C17H27N3O3 — CID 91775506

IUPAC3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N(C)CC2(CO)CCOCC2)n1
InChIInChI=1S/C17H27N3O3/c1-12-18-15(13-7-14(22)8-13)9-16(19-12)20(2)10-17(11-21)3-5-23-6-4-17/h9,13-14,21-22H,3-8,10-11H2,1-2H3
InChIKeyMQLDXLLBAHIANS-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.25
Rot. Bonds5

About 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91775506) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91775506
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N(C)CC2(CO)CCOCC2)n1
InChIInChI=1S/C17H27N3O3/c1-12-18-15(13-7-14(22)8-13)9-16(19-12)20(2)10-17(11-21)3-5-23-6-4-17/h9,13-14,21-22H,3-8,10-11H2,1-2H3
InChIKeyMQLDXLLBAHIANS-UHFFFAOYSA-N
XLogP1.25
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91775506) is 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N(C)CC2(CO)CCOCC2)n1.
What is the InChIKey of 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MQLDXLLBAHIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-18-15(13-7-14(22)8-13)9-16(19-12)20(2)10-17(11-21)3-5-23-6-4-17/h9,13-14,21-22H,3-8,10-11H2,1-2H3.
What are the key properties of 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91775506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).