(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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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).