4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one

C7H11N3O3 — CID 114586358

IUPAC4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN)nc[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-12-5-6(11)9-4-10-7(5)13-3-2-8/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyWVOMGFCBLIVMFU-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.88
Rot. Bonds4

About 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586358) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586358
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN)nc[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-12-5-6(11)9-4-10-7(5)13-3-2-8/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyWVOMGFCBLIVMFU-UHFFFAOYSA-N
XLogP-0.88
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
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
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766
4-(2,2-difluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136976581

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one (CID 114586358) is 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(OCCN)nc[nH]c1=O.
What is the InChIKey of 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WVOMGFCBLIVMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-12-5-6(11)9-4-10-7(5)13-3-2-8/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 185.18 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).