2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one

C14H18N4O2 — CID 135968749

IUPAC2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)Nc2ccc(=O)n(C)c2)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-13(14(20)17-10(3)15-8)9(2)16-11-5-6-12(19)18(4)7-11/h5-7,9,16H,1-4H3,(H,15,17,20)
InChIKeyDECJIMULRRIPIB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.26
Rot. Bonds3

About 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 135968749) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one
PubChem CID135968749
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)Nc2ccc(=O)n(C)c2)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-13(14(20)17-10(3)15-8)9(2)16-11-5-6-12(19)18(4)7-11/h5-7,9,16H,1-4H3,(H,15,17,20)
InChIKeyDECJIMULRRIPIB-UHFFFAOYSA-N
XLogP1.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one (CID 135968749) is 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)Nc2ccc(=O)n(C)c2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is DECJIMULRRIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-13(14(20)17-10(3)15-8)9(2)16-11-5-6-12(19)18(4)7-11/h5-7,9,16H,1-4H3,(H,15,17,20).
What are the key properties of 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135968749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).