2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile

C10H13N3O3 — CID 102929356

IUPAC2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOCCOCCc1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c1-15-4-5-16-3-2-9-12-7-8(6-11)10(14)13-9/h7H,2-5H2,1H3,(H,12,13,14)
InChIKeyDROCVJYLAWYODG-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.15
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile

2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 102929356) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID102929356
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOCCOCCc1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c1-15-4-5-16-3-2-9-12-7-8(6-11)10(14)13-9/h7H,2-5H2,1H3,(H,12,13,14)
InChIKeyDROCVJYLAWYODG-UHFFFAOYSA-N
XLogP-0.15
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 103151250
6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-5-carbonitrile
CID 113781255
2-ethyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82651482
6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 82652324
6-oxo-2-propyl-1H-pyrimidine-5-carbonitrile
CID 83694879
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927147
5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927184
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357
2-(3-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189744
6-oxo-2-(propoxymethyl)-1H-pyrimidine-5-carbonitrile
CID 104189747
2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189748
2-(ethoxymethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 102929356) is 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile is COCCOCCc1ncc(C#N)c(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is DROCVJYLAWYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-4-5-16-3-2-9-12-7-8(6-11)10(14)13-9/h7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 102929356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).