N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C8H10F3N3O — CID 80877714

IUPACN-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCNc1cc(OC(C)C(F)(F)F)ncn1
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)15-7-3-6(12-2)13-4-14-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyBDXBYJLSFRXXNR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.85
Rot. Bonds3

About N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877714) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877714
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCNc1cc(OC(C)C(F)(F)F)ncn1
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)15-7-3-6(12-2)13-4-14-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyBDXBYJLSFRXXNR-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877714) is N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CNc1cc(OC(C)C(F)(F)F)ncn1.
What is the InChIKey of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is BDXBYJLSFRXXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(8(9,10)11)15-7-3-6(12-2)13-4-14-7/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 221.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).