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

C12H17F3N4O — CID 66324751

IUPAC6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(NCC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C12H17F3N4O/c1-20-11-4-10(17-8-18-11)16-5-9-2-3-19(6-9)7-12(13,14)15/h4,8-9H,2-3,5-7H2,1H3,(H,16,17,18)
InChIKeyCEWKOEUSHXNEJW-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.78
Rot. Bonds5

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

6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 66324751) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID66324751
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(NCC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C12H17F3N4O/c1-20-11-4-10(17-8-18-11)16-5-9-2-3-19(6-9)7-12(13,14)15/h4,8-9H,2-3,5-7H2,1H3,(H,16,17,18)
InChIKeyCEWKOEUSHXNEJW-UHFFFAOYSA-N
XLogP1.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
1-(Cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600627
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
N,N-Dimethyl-6-(3-pyrrolidinyloxy)-4-pyrimidinamine
CID 53185902
6-methoxy-N-methylpyrimidin-4-amine
CID 16044348
6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 39818605
N-{[3-(dimethylamino)tetrahydro-3-thienyl]methyl}-6-methoxypyrimidin-4-amine
CID 50979529
1-Butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 75454038
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine
CID 95144106
(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 99638697
6-methoxy-4-N-[(3S)-1-propylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 164638135

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 66324751) is 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is COc1cc(NCC2CCN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is CEWKOEUSHXNEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-20-11-4-10(17-8-18-11)16-5-9-2-3-19(6-9)7-12(13,14)15/h4,8-9H,2-3,5-7H2,1H3,(H,16,17,18).
What are the key properties of 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 290.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 66324751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).