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

C11H20N4O2 — CID 136914207

IUPAC5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H20N4O2/c1-8(5-12-2)6-15(3)10-9(17-4)11(16)14-7-13-10/h7-8,12H,5-6H2,1-4H3,(H,13,14,16)
InChIKeyLXXPLRHBPUFMNN-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.07
Rot. Bonds6

About 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136914207) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136914207
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H20N4O2/c1-8(5-12-2)6-15(3)10-9(17-4)11(16)14-7-13-10/h7-8,12H,5-6H2,1-4H3,(H,13,14,16)
InChIKeyLXXPLRHBPUFMNN-UHFFFAOYSA-N
XLogP0.07
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974114
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136979148
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671885
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136914207) is 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CNCC(C)CN(C)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is LXXPLRHBPUFMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(5-12-2)6-15(3)10-9(17-4)11(16)14-7-13-10/h7-8,12H,5-6H2,1-4H3,(H,13,14,16).
What are the key properties of 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).