4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C9H15N3O3 — CID 136780873

IUPAC4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-14-4-5-15-3-2-8-11-7(10)6-9(13)12-8/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyLDVFLXIFYFUTTK-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.44
Rot. Bonds6

About 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 136780873) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID136780873
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-14-4-5-15-3-2-8-11-7(10)6-9(13)12-8/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyLDVFLXIFYFUTTK-UHFFFAOYSA-N
XLogP-0.44
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
Ethyl 2-(4-amino-6-hydroxypyrimidin-2-yl)acetate
CID 135667643
5-fluoro-2-[2-(2-methoxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136780889
4-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842412
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842413
6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624
4-amino-2-[(2-ethyl-1,3-dioxolan-2-yl)methyl]-1H-pyrimidin-6-one
CID 136430444
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 136780873) is 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is LDVFLXIFYFUTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-4-5-15-3-2-8-11-7(10)6-9(13)12-8/h6H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).