1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one

C13H20N4O2 — CID 136674869

IUPAC1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
SMILESCc1cc(=O)[nH]c([C@@H](C)N2CCCN(C)C(=O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(18)15-13(14-9)10(2)17-6-4-5-16(3)12(19)8-17/h7,10H,4-6,8H2,1-3H3,(H,14,15,18)/t10-/m1/s1
InChIKeyCPSZRWIHKIZQFM-SNVBAGLBSA-N
MW264.33 g/mol
LogP0.30
Rot. Bonds2

About 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one

1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one (PubChem CID 136674869) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
PubChem CID136674869
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
SMILESCc1cc(=O)[nH]c([C@@H](C)N2CCCN(C)C(=O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(18)15-13(14-9)10(2)17-6-4-5-16(3)12(19)8-17/h7,10H,4-6,8H2,1-3H3,(H,14,15,18)/t10-/m1/s1
InChIKeyCPSZRWIHKIZQFM-SNVBAGLBSA-N
XLogP0.30
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one (CID 136674869) is 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one is Cc1cc(=O)[nH]c([C@@H](C)N2CCCN(C)C(=O)C2)n1.
What is the InChIKey of 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one?
The InChIKey is CPSZRWIHKIZQFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-11(18)15-13(14-9)10(2)17-6-4-5-16(3)12(19)8-17/h7,10H,4-6,8H2,1-3H3,(H,14,15,18)/t10-/m1/s1.
What are the key properties of 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one?
1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one is sourced from PubChem (CID 136674869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).