2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C17H23F3N6O — CID 128968002

IUPAC2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1cc([C@H]2OCCC[C@@H]2Nc2nc(N(C)C)cc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H23F3N6O/c1-4-26-10-11(9-21-26)15-12(6-5-7-27-15)22-16-23-13(17(18,19)20)8-14(24-16)25(2)3/h8-10,12,15H,4-7H2,1-3H3,(H,22,23,24)/t12-,15+/m0/s1
InChIKeyMJSJREGFAFWTCV-SWLSCSKDSA-N
MW384.41 g/mol
LogP3.11
Rot. Bonds5

About 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 128968002) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID128968002
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1cc([C@H]2OCCC[C@@H]2Nc2nc(N(C)C)cc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H23F3N6O/c1-4-26-10-11(9-21-26)15-12(6-5-7-27-15)22-16-23-13(17(18,19)20)8-14(24-16)25(2)3/h8-10,12,15H,4-7H2,1-3H3,(H,22,23,24)/t12-,15+/m0/s1
InChIKeyMJSJREGFAFWTCV-SWLSCSKDSA-N
XLogP3.11
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

US9932325, Example 193
CID 132244742
5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine
CID 128565528
2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
CID 164634684
N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 132207548
N-butan-2-yl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-6-[4-(difluoromethyl)cyclohexyl]-5-ethylpyrimidin-4-amine
CID 170983795
N'-methyl-2-(1-methylpyrazol-4-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109536397
N'-methyl-2-(1-methylpyrazol-4-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboximidamide
CID 109536398
N-ethyl-2-(1-methylpyrazol-4-yl)-N'-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109537483
N-ethyl-2-(1-methylpyrazol-4-yl)-N'-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboximidamide
CID 109537484
N-[1-({1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-4-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889720
N-cyclopropyl-N-[1-({1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-4-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890885
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]oxan-3-amine
CID 128968523

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 128968002) is 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCn1cc([C@H]2OCCC[C@@H]2Nc2nc(N(C)C)cc(C(F)(F)F)n2)cn1.
What is the InChIKey of 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MJSJREGFAFWTCV-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-4-26-10-11(9-21-26)15-12(6-5-7-27-15)22-16-23-13(17(18,19)20)8-14(24-16)25(2)3/h8-10,12,15H,4-7H2,1-3H3,(H,22,23,24)/t12-,15+/m0/s1.
What are the key properties of 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 384.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 128968002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).