5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine

C7H9F3N4O — CID 105478804

IUPAC5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(C(F)(F)F)c1CN
InChIInChI=1S/C7H9F3N4O/c1-15-5-3(2-11)4(7(8,9)10)13-6(12)14-5/h2,11H2,1H3,(H2,12,13,14)
InChIKeyDYTPKEORGCLFBH-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.54
Rot. Bonds2

About 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine

5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 105478804) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID105478804
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(C(F)(F)F)c1CN
InChIInChI=1S/C7H9F3N4O/c1-15-5-3(2-11)4(7(8,9)10)13-6(12)14-5/h2,11H2,1H3,(H2,12,13,14)
InChIKeyDYTPKEORGCLFBH-UHFFFAOYSA-N
XLogP0.54
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 105478804) is 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine is COc1nc(N)nc(C(F)(F)F)c1CN.
What is the InChIKey of 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DYTPKEORGCLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-15-5-3(2-11)4(7(8,9)10)13-6(12)14-5/h2,11H2,1H3,(H2,12,13,14).
What are the key properties of 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 222.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 105478804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).