4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

C14H23N5O — CID 102887894

IUPAC4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1nc(C)nc(N2CCCN(C)C(=O)C2)c1C
InChIInChI=1S/C14H23N5O/c1-5-15-13-10(2)14(17-11(3)16-13)19-8-6-7-18(4)12(20)9-19/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyJTXRMSYWDBRGLT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds3

About 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102887894) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102887894
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1nc(C)nc(N2CCCN(C)C(=O)C2)c1C
InChIInChI=1S/C14H23N5O/c1-5-15-13-10(2)14(17-11(3)16-13)19-8-6-7-18(4)12(20)9-19/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyJTXRMSYWDBRGLT-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (CID 102887894) is 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is CCNc1nc(C)nc(N2CCCN(C)C(=O)C2)c1C.
What is the InChIKey of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is JTXRMSYWDBRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-15-13-10(2)14(17-11(3)16-13)19-8-6-7-18(4)12(20)9-19/h5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).