4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine

C7H8F3N3O — CID 175471490

IUPAC4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(F)C(F)F
InChIInChI=1S/C7H8F3N3O/c1-14-6-3(4(8)5(9)10)2-12-7(11)13-6/h2,4-5H,1H3,(H2,11,12,13)
InChIKeyYRYLUCIVVVGUEO-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.34
Rot. Bonds3

About 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine

4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 175471490) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID175471490
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(F)C(F)F
InChIInChI=1S/C7H8F3N3O/c1-14-6-3(4(8)5(9)10)2-12-7(11)13-6/h2,4-5H,1H3,(H2,11,12,13)
InChIKeyYRYLUCIVVVGUEO-UHFFFAOYSA-N
XLogP1.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine (CID 175471490) is 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine is COc1nc(N)ncc1C(F)C(F)F.
What is the InChIKey of 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is YRYLUCIVVVGUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-14-6-3(4(8)5(9)10)2-12-7(11)13-6/h2,4-5H,1H3,(H2,11,12,13).
What are the key properties of 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 207.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 175471490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).