4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile

C11H16N4O — CID 115143689

IUPAC4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCCCCCN(C)c1cc(C#N)[nH]c(=O)n1
InChIInChI=1S/C11H16N4O/c1-3-4-5-6-15(2)10-7-9(8-12)13-11(16)14-10/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyWMNGOKRIIKBSCH-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.27
Rot. Bonds5

About 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile

4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143689) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143689
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCCCCCN(C)c1cc(C#N)[nH]c(=O)n1
InChIInChI=1S/C11H16N4O/c1-3-4-5-6-15(2)10-7-9(8-12)13-11(16)14-10/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyWMNGOKRIIKBSCH-UHFFFAOYSA-N
XLogP1.27
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143689) is 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is CCCCCN(C)c1cc(C#N)[nH]c(=O)n1.
What is the InChIKey of 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is WMNGOKRIIKBSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-4-5-6-15(2)10-7-9(8-12)13-11(16)14-10/h7H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).