N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine

C12H17N3O — CID 133491217

IUPACN-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2C=CCCC2)ncn1
InChIInChI=1S/C12H17N3O/c1-2-16-12-8-11(13-9-14-12)15-10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3,(H,13,14,15)
InChIKeyWENKQHAVFPYVMA-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.40
Rot. Bonds4

About N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine

N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine (PubChem CID 133491217) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine
PubChem CID133491217
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2C=CCCC2)ncn1
InChIInChI=1S/C12H17N3O/c1-2-16-12-8-11(13-9-14-12)15-10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3,(H,13,14,15)
InChIKeyWENKQHAVFPYVMA-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine (CID 133491217) is N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2C=CCCC2)ncn1.
What is the InChIKey of N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine?
The InChIKey is WENKQHAVFPYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-16-12-8-11(13-9-14-12)15-10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3,(H,13,14,15).
What are the key properties of N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine?
N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 133491217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).