1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile

C15H15N3O — CID 116896131

IUPAC1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile
SMILESCc1cc(-c2ccc(C)o2)nc(C2(C#N)CCC2)n1
InChIInChI=1S/C15H15N3O/c1-10-8-12(13-5-4-11(2)19-13)18-14(17-10)15(9-16)6-3-7-15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyMLXUXBBDDIMSEA-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.30
Rot. Bonds2

About 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile

1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile (PubChem CID 116896131) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile
PubChem CID116896131
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile
SMILESCc1cc(-c2ccc(C)o2)nc(C2(C#N)CCC2)n1
InChIInChI=1S/C15H15N3O/c1-10-8-12(13-5-4-11(2)19-13)18-14(17-10)15(9-16)6-3-7-15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyMLXUXBBDDIMSEA-UHFFFAOYSA-N
XLogP3.30
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile (CID 116896131) is 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile is Cc1cc(-c2ccc(C)o2)nc(C2(C#N)CCC2)n1.
What is the InChIKey of 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile?
The InChIKey is MLXUXBBDDIMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-8-12(13-5-4-11(2)19-13)18-14(17-10)15(9-16)6-3-7-15/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile?
1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116896131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).