2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one

C16H14N4O2 — CID 170655980

IUPAC2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1cc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)ccn1
InChIInChI=1S/C16H14N4O2/c1-22-15-9-11(7-8-17-15)13-10-14(21)20-16(19-13)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyGVQPUDALPSPUED-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.58
Rot. Bonds4

About 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one

2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 170655980) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
PubChem CID170655980
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1cc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)ccn1
InChIInChI=1S/C16H14N4O2/c1-22-15-9-11(7-8-17-15)13-10-14(21)20-16(19-13)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyGVQPUDALPSPUED-UHFFFAOYSA-N
XLogP2.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one (CID 170655980) is 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one is COc1cc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)ccn1.
What is the InChIKey of 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is GVQPUDALPSPUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-15-9-11(7-8-17-15)13-10-14(21)20-16(19-13)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one?
2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 294.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170655980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).