3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C15H19N3O2 — CID 91783030

IUPAC3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1ccc(CN(C)c2cc(C3CC(O)C3)ncn2)o1
InChIInChI=1S/C15H19N3O2/c1-10-3-4-13(20-10)8-18(2)15-7-14(16-9-17-15)11-5-12(19)6-11/h3-4,7,9,11-12,19H,5-6,8H2,1-2H3
InChIKeyICMUMZUPKXSBMX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.25
Rot. Bonds4

About 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91783030) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91783030
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1ccc(CN(C)c2cc(C3CC(O)C3)ncn2)o1
InChIInChI=1S/C15H19N3O2/c1-10-3-4-13(20-10)8-18(2)15-7-14(16-9-17-15)11-5-12(19)6-11/h3-4,7,9,11-12,19H,5-6,8H2,1-2H3
InChIKeyICMUMZUPKXSBMX-UHFFFAOYSA-N
XLogP2.25
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91783030) is 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1ccc(CN(C)c2cc(C3CC(O)C3)ncn2)o1.
What is the InChIKey of 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ICMUMZUPKXSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-3-4-13(20-10)8-18(2)15-7-14(16-9-17-15)11-5-12(19)6-11/h3-4,7,9,11-12,19H,5-6,8H2,1-2H3.
What are the key properties of 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91783030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).