6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

C23H23N5O2 — CID 139268218

IUPAC6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC(=O)NC(c2ncccn2)N1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N5O2/c1-15(16-8-10-18(11-9-16)17-6-3-2-4-7-17)26-23(30)19-14-20(29)28-22(27-19)21-24-12-5-13-25-21/h2-13,15,19,22,27H,14H2,1H3,(H,26,30)(H,28,29)/t15-,19?,22?/m1/s1
InChIKeyDFEMXLFALXODLW-DMXYAQSFSA-N
MW401.47 g/mol
LogP2.50
Rot. Bonds5

About 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (PubChem CID 139268218) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
PubChem CID139268218
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC(=O)NC(c2ncccn2)N1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N5O2/c1-15(16-8-10-18(11-9-16)17-6-3-2-4-7-17)26-23(30)19-14-20(29)28-22(27-19)21-24-12-5-13-25-21/h2-13,15,19,22,27H,14H2,1H3,(H,26,30)(H,28,29)/t15-,19?,22?/m1/s1
InChIKeyDFEMXLFALXODLW-DMXYAQSFSA-N
XLogP2.50
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The IUPAC name of 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (CID 139268218) is 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The canonical SMILES for 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is C[C@@H](NC(=O)C1CC(=O)NC(c2ncccn2)N1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The InChIKey is DFEMXLFALXODLW-DMXYAQSFSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(16-8-10-18(11-9-16)17-6-3-2-4-7-17)26-23(30)19-14-20(29)28-22(27-19)21-24-12-5-13-25-21/h2-13,15,19,22,27H,14H2,1H3,(H,26,30)(H,28,29)/t15-,19?,22?/m1/s1.
What are the key properties of 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).