N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine

C23H22F4N6O2 — CID 145100387

IUPACN-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine
SMILESNc1cc(C(F)(F)F)c(-c2cc(C3(N(O)c4ccccc4F)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H22F4N6O2/c24-16-3-1-2-4-18(16)33(34)22(5-6-22)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h1-4,11-13,34H,5-10H2,(H2,28,29)
InChIKeyAGHDTPXYUKVPLM-UHFFFAOYSA-N
MW490.46 g/mol
LogP4.00
Rot. Bonds5

About N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine

N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine (PubChem CID 145100387) has the molecular formula C23H22F4N6O2 and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine.

Molecular Properties

Compound NameN-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine
PubChem CID145100387
Molecular FormulaC23H22F4N6O2
Molecular Weight490.46 g/mol
Exact Mass490.17
IUPAC NameN-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine
SMILESNc1cc(C(F)(F)F)c(-c2cc(C3(N(O)c4ccccc4F)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H22F4N6O2/c24-16-3-1-2-4-18(16)33(34)22(5-6-22)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h1-4,11-13,34H,5-10H2,(H2,28,29)
InChIKeyAGHDTPXYUKVPLM-UHFFFAOYSA-N
XLogP4.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507894
2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-tert-butylbenzenesulfonamide
CID 59507814
5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507653
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine
CID 174707827
5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507849
5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 146358785
1-[5-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-2-pyridinyl]ethane-1,1-diol
CID 70848217

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine?
The IUPAC name of N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine (CID 145100387) is N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine.
What is the SMILES notation for N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine?
The canonical SMILES for N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine is Nc1cc(C(F)(F)F)c(-c2cc(C3(N(O)c4ccccc4F)CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine?
The InChIKey is AGHDTPXYUKVPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6O2/c24-16-3-1-2-4-18(16)33(34)22(5-6-22)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h1-4,11-13,34H,5-10H2,(H2,28,29).
What are the key properties of N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine?
N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine has a molecular weight of 490.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine is sourced from PubChem (CID 145100387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).