N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4O — CID 103541858

IUPACN-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-3-16-11-17-9(12(13,14)15)6-10(18-11)19-5-4-8(7-19)20-2/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyQJUUPOSFRVXRQJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103541858) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103541858
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-3-16-11-17-9(12(13,14)15)6-10(18-11)19-5-4-8(7-19)20-2/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyQJUUPOSFRVXRQJ-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 103541858) is N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QJUUPOSFRVXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-3-16-11-17-9(12(13,14)15)6-10(18-11)19-5-4-8(7-19)20-2/h6,8H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103541858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).