2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile

C14H14N4OS — CID 137013863

IUPAC2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile
SMILESCCCc1cc(=O)[nH]c(Sc2cc(C#N)cc(C)n2)n1
InChIInChI=1S/C14H14N4OS/c1-3-4-11-7-12(19)18-14(17-11)20-13-6-10(8-15)5-9(2)16-13/h5-7H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyZWICEJRNKVPNSP-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile

2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile (PubChem CID 137013863) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile
PubChem CID137013863
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile
SMILESCCCc1cc(=O)[nH]c(Sc2cc(C#N)cc(C)n2)n1
InChIInChI=1S/C14H14N4OS/c1-3-4-11-7-12(19)18-14(17-11)20-13-6-10(8-15)5-9(2)16-13/h5-7H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyZWICEJRNKVPNSP-UHFFFAOYSA-N
XLogP2.45
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile (CID 137013863) is 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile is CCCc1cc(=O)[nH]c(Sc2cc(C#N)cc(C)n2)n1.
What is the InChIKey of 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile?
The InChIKey is ZWICEJRNKVPNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-3-4-11-7-12(19)18-14(17-11)20-13-6-10(8-15)5-9(2)16-13/h5-7H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile?
2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile is sourced from PubChem (CID 137013863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).