6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one

C10H12F3N5O2 — CID 141126372

IUPAC6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one
SMILESNc1ncc(C(F)(F)F)c(NCC2CNC(=O)CO2)n1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)6-3-17-9(14)18-8(6)16-2-5-1-15-7(19)4-20-5/h3,5H,1-2,4H2,(H,15,19)(H3,14,16,17,18)
InChIKeyRVIUIOZUWDJJOP-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.00
Rot. Bonds3

About 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one

6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one (PubChem CID 141126372) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one
PubChem CID141126372
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one
SMILESNc1ncc(C(F)(F)F)c(NCC2CNC(=O)CO2)n1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)6-3-17-9(14)18-8(6)16-2-5-1-15-7(19)4-20-5/h3,5H,1-2,4H2,(H,15,19)(H3,14,16,17,18)
InChIKeyRVIUIOZUWDJJOP-UHFFFAOYSA-N
XLogP0.00
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}acetamide
CID 50976549
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866727
(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
CID 99929770
1-[(3S)-3-[[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydroxyethanone
CID 90341275
1-[2-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]ethanone
CID 141126361
1-[2-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one
CID 141126367
4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126375
1-[2-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 141126379
4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176470
1-[(3R)-3-[[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydroxyethanone
CID 141418183
1-[3-[[4-Amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydroxyethanone
CID 141418190
(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide
CID 142586810

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one?
The IUPAC name of 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one (CID 141126372) is 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one.
What is the SMILES notation for 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one?
The canonical SMILES for 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one is Nc1ncc(C(F)(F)F)c(NCC2CNC(=O)CO2)n1.
What is the InChIKey of 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one?
The InChIKey is RVIUIOZUWDJJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2/c11-10(12,13)6-3-17-9(14)18-8(6)16-2-5-1-15-7(19)4-20-5/h3,5H,1-2,4H2,(H,15,19)(H3,14,16,17,18).
What are the key properties of 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one?
6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one has a molecular weight of 291.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 141126372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).