2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

C12H22N4O — CID 136914203

IUPAC2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CC(C)CNC)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-5-10-14-11(6-12(17)15-10)16(4)8-9(2)7-13-3/h6,9,13H,5,7-8H2,1-4H3,(H,14,15,17)
InChIKeyNYDQGEDMRNITPY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds6

About 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136914203) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136914203
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CC(C)CNC)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-5-10-14-11(6-12(17)15-10)16(4)8-9(2)7-13-3/h6,9,13H,5,7-8H2,1-4H3,(H,14,15,17)
InChIKeyNYDQGEDMRNITPY-UHFFFAOYSA-N
XLogP0.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136914203) is 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CCc1nc(N(C)CC(C)CNC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is NYDQGEDMRNITPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-14-11(6-12(17)15-10)16(4)8-9(2)7-13-3/h6,9,13H,5,7-8H2,1-4H3,(H,14,15,17).
What are the key properties of 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).