(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one

C17H18N4O2 — CID 95144787

IUPAC(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
SMILESCc1nccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1
InChIInChI=1S/C17H18N4O2/c1-12-18-8-7-14(20-12)17(23)21-10-9-19-16(22)11-15(21)13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyDPZRUDMSAFPJIV-OAHLLOKOSA-N
MW310.36 g/mol
LogP1.49
Rot. Bonds2

About (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one

(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one (PubChem CID 95144787) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
PubChem CID95144787
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
SMILESCc1nccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1
InChIInChI=1S/C17H18N4O2/c1-12-18-8-7-14(20-12)17(23)21-10-9-19-16(22)11-15(21)13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyDPZRUDMSAFPJIV-OAHLLOKOSA-N
XLogP1.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 49327875
1-[1-(4-fluorophenyl)-5-methylpyrazole-3-carbonyl]-7-phenyl-1,4-diazepan-5-one
CID 126801090
7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
CID 86933702
(7S)-1-[4-[(R)-methylsulfinyl]benzoyl]-7-phenyl-1,4-diazepan-5-one
CID 95141444
[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124959844
1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 56817974
(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 97065919
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-7-phenyl-1,4-diazepan-5-one
CID 56798349
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538
8-(cyclopropanecarbonyl)-1-(5-methylpyrazine-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 110201845
(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
CID 124622403

Frequently Asked Questions

What is the IUPAC name of (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one (CID 95144787) is (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one is Cc1nccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1.
What is the InChIKey of (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
The InChIKey is DPZRUDMSAFPJIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-18-8-7-14(20-12)17(23)21-10-9-19-16(22)11-15(21)13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one has a molecular weight of 310.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 95144787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).