N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine

C10H11FIN5O — CID 154640449

IUPACN-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine
SMILESCOc1nn(CCF)cc1Nc1ncc(I)cn1
InChIInChI=1S/C10H11FIN5O/c1-18-9-8(6-17(16-9)3-2-11)15-10-13-4-7(12)5-14-10/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyOSYBKYXFFBYMPW-UHFFFAOYSA-N
MW363.13 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine

N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine (PubChem CID 154640449) has the molecular formula C10H11FIN5O and a molecular weight of 363.13 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine
PubChem CID154640449
Molecular FormulaC10H11FIN5O
Molecular Weight363.13 g/mol
Exact Mass363.00
IUPAC NameN-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine
SMILESCOc1nn(CCF)cc1Nc1ncc(I)cn1
InChIInChI=1S/C10H11FIN5O/c1-18-9-8(6-17(16-9)3-2-11)15-10-13-4-7(12)5-14-10/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyOSYBKYXFFBYMPW-UHFFFAOYSA-N
XLogP2.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine (CID 154640449) is N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine is COc1nn(CCF)cc1Nc1ncc(I)cn1.
What is the InChIKey of N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine?
The InChIKey is OSYBKYXFFBYMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FIN5O/c1-18-9-8(6-17(16-9)3-2-11)15-10-13-4-7(12)5-14-10/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine?
N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine has a molecular weight of 363.13 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 154640449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).