N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine

C12H16FN3 — CID 133419833

IUPACN-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC2C=CCCC2)c1F
InChIInChI=1S/C12H16FN3/c1-2-10-11(13)12(15-8-14-10)16-9-6-4-3-5-7-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,15,16)
InChIKeyTUKFTFUPDTZETF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.70
Rot. Bonds3

About N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine

N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133419833) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133419833
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC NameN-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC2C=CCCC2)c1F
InChIInChI=1S/C12H16FN3/c1-2-10-11(13)12(15-8-14-10)16-9-6-4-3-5-7-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,15,16)
InChIKeyTUKFTFUPDTZETF-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine (CID 133419833) is N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC2C=CCCC2)c1F.
What is the InChIKey of N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is TUKFTFUPDTZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-2-10-11(13)12(15-8-14-10)16-9-6-4-3-5-7-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,15,16).
What are the key properties of N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine?
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 221.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133419833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).