6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine

C13H19F3N4O — CID 66329162

IUPAC6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H19F3N4O/c1-2-21-12-5-11(18-9-19-12)17-6-10-3-4-20(7-10)8-13(14,15)16/h5,9-10H,2-4,6-8H2,1H3,(H,17,18,19)
InChIKeyFGDOMCSQGZJHRL-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.17
Rot. Bonds6

About 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine

6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 66329162) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID66329162
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H19F3N4O/c1-2-21-12-5-11(18-9-19-12)17-6-10-3-4-20(7-10)8-13(14,15)16/h5,9-10H,2-4,6-8H2,1H3,(H,17,18,19)
InChIKeyFGDOMCSQGZJHRL-UHFFFAOYSA-N
XLogP2.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577492
4-(3-Methoxypropoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434283
6-(oxolan-3-yloxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434540
6-(3-methoxypropoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434840
6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
N,N-Dimethyl-6-(3-pyrrolidinyloxy)-4-pyrimidinamine
CID 53185902
4-(Piperidin-1-yl)-6-(pyrrolidin-3-yloxy)pyrimidine
CID 53185904
6-ethoxy-N-(piperidin-4-yl)pyrimidin-4-amine
CID 66319018

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 66329162) is 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is CCOc1cc(NCC2CCN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is FGDOMCSQGZJHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-21-12-5-11(18-9-19-12)17-6-10-3-4-20(7-10)8-13(14,15)16/h5,9-10H,2-4,6-8H2,1H3,(H,17,18,19).
What are the key properties of 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 66329162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).