1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

C13H17F3N4O — CID 56867761

IUPAC1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1CNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-20-10(2-3-11(20)21)8-18-12-17-7-5-9(19-12)4-6-13(14,15)16/h5,7,10H,2-4,6,8H2,1H3,(H,17,18,19)
InChIKeyAXKPOQGVKBNDML-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.00
Rot. Bonds5

About 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 56867761) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID56867761
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1CNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-20-10(2-3-11(20)21)8-18-12-17-7-5-9(19-12)4-6-13(14,15)16/h5,7,10H,2-4,6,8H2,1H3,(H,17,18,19)
InChIKeyAXKPOQGVKBNDML-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

N'-cyclopentyl-N-methyl-N-(4-pyrimidinylmethyl)succinamide
CID 28363197
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
CID 70775966
(3S,4S)-N-methyl-1-(2-methylpropanoyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92553173
(3S,4S)-N-methyl-1-propanoyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92585512
1-[2-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110267170
2-Methyl-6-(2-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}ethyl)pyrimidin-4-OL
CID 136185556
1-(2,2-Dimethylpropyl)-4-{[6-isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]amino}pyrrolidin-2-one
CID 56917213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (CID 56867761) is 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is CN1C(=O)CCC1CNc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is AXKPOQGVKBNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-20-10(2-3-11(20)21)8-18-12-17-7-5-9(19-12)4-6-13(14,15)16/h5,7,10H,2-4,6,8H2,1H3,(H,17,18,19).
What are the key properties of 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 302.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 56867761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).