2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one

C14H11N3O — CID 136955770

IUPAC2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc[nH]2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H11N3O/c18-13-9-12(11-7-4-8-15-11)16-14(17-13)10-5-2-1-3-6-10/h1-9,15H,(H,16,17,18)
InChIKeyLMSKECFLUDXBCB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.43
Rot. Bonds2

About 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one

2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136955770) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
PubChem CID136955770
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc[nH]2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H11N3O/c18-13-9-12(11-7-4-8-15-11)16-14(17-13)10-5-2-1-3-6-10/h1-9,15H,(H,16,17,18)
InChIKeyLMSKECFLUDXBCB-UHFFFAOYSA-N
XLogP2.43
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769977
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719
5-iodo-4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136984654
4-phenoxy-2-phenyl-1H-pyrimidin-6-one
CID 13185841
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrimidin-6-one
CID 135446520

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one (CID 136955770) is 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc[nH]2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is LMSKECFLUDXBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-9-12(11-7-4-8-15-11)16-14(17-13)10-5-2-1-3-6-10/h1-9,15H,(H,16,17,18).
What are the key properties of 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).