2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C11H14F3N3O — CID 175293655

IUPAC2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESNc1cc(COCC(F)(F)F)nc(CC2CC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-8-4-9(15)17-10(16-8)3-7-1-2-7/h4,7H,1-3,5-6H2,(H2,15,16,17)
InChIKeyMRVBCVHSMYPQJO-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.09
Rot. Bonds5

About 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 175293655) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID175293655
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESNc1cc(COCC(F)(F)F)nc(CC2CC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-8-4-9(15)17-10(16-8)3-7-1-2-7/h4,7H,1-3,5-6H2,(H2,15,16,17)
InChIKeyMRVBCVHSMYPQJO-UHFFFAOYSA-N
XLogP2.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 175293655) is 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is Nc1cc(COCC(F)(F)F)nc(CC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is MRVBCVHSMYPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-8-4-9(15)17-10(16-8)3-7-1-2-7/h4,7H,1-3,5-6H2,(H2,15,16,17).
What are the key properties of 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 261.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 175293655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).