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

C13H19F3N4 — CID 126724510

IUPAC6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCC(C)c1cc(NC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H19F3N4/c1-9(2)11-5-12(18-8-17-11)19-10-3-4-20(6-10)7-13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,18,19)
InChIKeyXONFLNHOEZDPGD-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.65
Rot. Bonds4

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

6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 126724510) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID126724510
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCC(C)c1cc(NC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H19F3N4/c1-9(2)11-5-12(18-8-17-11)19-10-3-4-20(6-10)7-13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,18,19)
InChIKeyXONFLNHOEZDPGD-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 118362521
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764041
ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine
CID 144986362
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 126724510) is 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine is CC(C)c1cc(NC2CCN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is XONFLNHOEZDPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-9(2)11-5-12(18-8-17-11)19-10-3-4-20(6-10)7-13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126724510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).