5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine

C7H9F2N3O — CID 164907865

IUPAC5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(C)(F)F
InChIInChI=1S/C7H9F2N3O/c1-7(8,9)4-3-11-6(10)12-5(4)13-2/h3H,1-2H3,(H2,10,11,12)
InChIKeyBDXRLNQWRYXEBA-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.18
Rot. Bonds2

About 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine

5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine (PubChem CID 164907865) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine
PubChem CID164907865
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(C)(F)F
InChIInChI=1S/C7H9F2N3O/c1-7(8,9)4-3-11-6(10)12-5(4)13-2/h3H,1-2H3,(H2,10,11,12)
InChIKeyBDXRLNQWRYXEBA-UHFFFAOYSA-N
XLogP1.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine (CID 164907865) is 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is BDXRLNQWRYXEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-7(8,9)4-3-11-6(10)12-5(4)13-2/h3H,1-2H3,(H2,10,11,12).
What are the key properties of 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine?
5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 189.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 164907865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).