2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine

C7H10FN3O2 — CID 170733725

IUPAC2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine
SMILESCOc1nc(OCCF)ncc1N
InChIInChI=1S/C7H10FN3O2/c1-12-6-5(9)4-10-7(11-6)13-3-2-8/h4H,2-3,9H2,1H3
InChIKeyLKVWVWZSYFSXME-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.42
Rot. Bonds4

About 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine

2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine (PubChem CID 170733725) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine
PubChem CID170733725
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine
SMILESCOc1nc(OCCF)ncc1N
InChIInChI=1S/C7H10FN3O2/c1-12-6-5(9)4-10-7(11-6)13-3-2-8/h4H,2-3,9H2,1H3
InChIKeyLKVWVWZSYFSXME-UHFFFAOYSA-N
XLogP0.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine?
The IUPAC name of 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine (CID 170733725) is 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine.
What is the SMILES notation for 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine?
The canonical SMILES for 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine is COc1nc(OCCF)ncc1N.
What is the InChIKey of 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine?
The InChIKey is LKVWVWZSYFSXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-12-6-5(9)4-10-7(11-6)13-3-2-8/h4H,2-3,9H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine?
2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine has a molecular weight of 187.17 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-4-methoxypyrimidin-5-amine is sourced from PubChem (CID 170733725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).