8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C30H28N6O3 — CID 155539215

IUPAC8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(-c4ccccc4)cc2)C(=O)N3c2ncccn2)n1
InChIInChI=1S/C30H28N6O3/c1-39-26-10-5-9-24(33-26)21-34-19-15-30(16-20-34)27(37)35(29(38)36(30)28-31-17-6-18-32-28)25-13-11-23(12-14-25)22-7-3-2-4-8-22/h2-14,17-18H,15-16,19-21H2,1H3
InChIKeyMGMVXZQIEOSRAU-UHFFFAOYSA-N
MW520.59 g/mol
LogP4.56
Rot. Bonds6

About 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 155539215) has the molecular formula C30H28N6O3 and a molecular weight of 520.59 g/mol. Its IUPAC name is 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID155539215
Molecular FormulaC30H28N6O3
Molecular Weight520.59 g/mol
Exact Mass520.22
IUPAC Name8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(-c4ccccc4)cc2)C(=O)N3c2ncccn2)n1
InChIInChI=1S/C30H28N6O3/c1-39-26-10-5-9-24(33-26)21-34-19-15-30(16-20-34)27(37)35(29(38)36(30)28-31-17-6-18-32-28)25-13-11-23(12-14-25)22-7-3-2-4-8-22/h2-14,17-18H,15-16,19-21H2,1H3
InChIKeyMGMVXZQIEOSRAU-UHFFFAOYSA-N
XLogP4.56
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 155539215) is 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(-c4ccccc4)cc2)C(=O)N3c2ncccn2)n1.
What is the InChIKey of 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MGMVXZQIEOSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O3/c1-39-26-10-5-9-24(33-26)21-34-19-15-30(16-20-34)27(37)35(29(38)36(30)28-31-17-6-18-32-28)25-13-11-23(12-14-25)22-7-3-2-4-8-22/h2-14,17-18H,15-16,19-21H2,1H3.
What are the key properties of 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 520.59 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-methoxy-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 155539215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).