4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

C11H10N4O2 — CID 135849728

IUPAC4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(NCc2ccco2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C11H10N4O2/c1-7-14-10(9(5-12)11(16)15-7)13-6-8-3-2-4-17-8/h2-4H,6H2,1H3,(H2,13,14,15,16)
InChIKeyOKUYBJFXMKVDRA-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.16
Rot. Bonds3

About 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135849728) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135849728
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(NCc2ccco2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C11H10N4O2/c1-7-14-10(9(5-12)11(16)15-7)13-6-8-3-2-4-17-8/h2-4H,6H2,1H3,(H2,13,14,15,16)
InChIKeyOKUYBJFXMKVDRA-UHFFFAOYSA-N
XLogP1.16
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135849728) is 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is Cc1nc(NCc2ccco2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is OKUYBJFXMKVDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-14-10(9(5-12)11(16)15-7)13-6-8-3-2-4-17-8/h2-4H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135849728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).