4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one

C9H15N3O3 — CID 103241380

IUPAC4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN(C)C)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-12(2)4-5-15-9-7(14-3)8(13)10-6-11-9/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyHPLRZBKHGOPCOX-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.28
Rot. Bonds5

About 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one

4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241380) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241380
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN(C)C)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-12(2)4-5-15-9-7(14-3)8(13)10-6-11-9/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyHPLRZBKHGOPCOX-UHFFFAOYSA-N
XLogP-0.28
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
5-Methoxypyrimidin-4-ol
CID 581046
6-Hydroxy-5-methoxypyrimidin-4(3H)-one
CID 14960368
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
5-methoxy-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009210
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one (CID 103241380) is 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCCN(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HPLRZBKHGOPCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-12(2)4-5-15-9-7(14-3)8(13)10-6-11-9/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).