2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N4O — CID 57074353

IUPAC2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCC(N)c1nc(NC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-20-5-4-8(16)11-18-9(12(13,14)15)6-10(19-11)17-7-2-3-7/h6-8H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyUJJPUSGTZQBKBI-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.11
Rot. Bonds6

About 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine

2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 57074353) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID57074353
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCC(N)c1nc(NC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-20-5-4-8(16)11-18-9(12(13,14)15)6-10(19-11)17-7-2-3-7/h6-8H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyUJJPUSGTZQBKBI-UHFFFAOYSA-N
XLogP2.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 57074353) is 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine is COCCC(N)c1nc(NC2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UJJPUSGTZQBKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-20-5-4-8(16)11-18-9(12(13,14)15)6-10(19-11)17-7-2-3-7/h6-8H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 290.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 57074353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).