4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine

C10H13N3O — CID 83483967

IUPAC4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine
SMILES[C-]#[N+]CCc1c(CC)ncnc1OC
InChIInChI=1S/C10H13N3O/c1-4-9-8(5-6-11-2)10(14-3)13-7-12-9/h7H,4-6H2,1,3H3
InChIKeyBLGIKXHYEIZOAA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.51
Rot. Bonds4

About 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine

4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine (PubChem CID 83483967) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine
PubChem CID83483967
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine
SMILES[C-]#[N+]CCc1c(CC)ncnc1OC
InChIInChI=1S/C10H13N3O/c1-4-9-8(5-6-11-2)10(14-3)13-7-12-9/h7H,4-6H2,1,3H3
InChIKeyBLGIKXHYEIZOAA-UHFFFAOYSA-N
XLogP1.51
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
CID 84767323
2-(4,6-diethylpyrimidin-5-yl)ethanol
CID 54415725
5-chloro-4-(2-isocyanoethyl)-6-methylpyrimidine
CID 83482543
4,6-diethyl-5-methylpyrimidine
CID 56994655
5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine
CID 129090872
1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 82654656
4,6-diethylpyrimidin-5-amine
CID 15585361
2-(5-chloro-6-ethylpyrimidin-4-yl)oxyacetic acid
CID 18700276
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
CID 107848836
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982283
1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine
CID 82654534
4,6-diethylpyrimidin-5-amine;hydrochloride
CID 119057009

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine?
The IUPAC name of 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine (CID 83483967) is 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine?
The canonical SMILES for 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine is [C-]#[N+]CCc1c(CC)ncnc1OC.
What is the InChIKey of 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine?
The InChIKey is BLGIKXHYEIZOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-9-8(5-6-11-2)10(14-3)13-7-12-9/h7H,4-6H2,1,3H3.
What are the key properties of 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine?
4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine has a molecular weight of 191.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-isocyanoethyl)-6-methoxypyrimidine is sourced from PubChem (CID 83483967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).