4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine

C20H19F3N6O — CID 174707827

IUPAC4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(Nc3ccccc3)n2)cn1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)15-10-17(24)25-12-14(15)16-11-18(29-6-8-30-9-7-29)28-19(27-16)26-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,24,25)(H,26,27,28)
InChIKeySUCFFMMSTZXSKX-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.72
Rot. Bonds4

About 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine

4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine (PubChem CID 174707827) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine
PubChem CID174707827
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(Nc3ccccc3)n2)cn1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)15-10-17(24)25-12-14(15)16-11-18(29-6-8-30-9-7-29)28-19(27-16)26-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,24,25)(H,26,27,28)
InChIKeySUCFFMMSTZXSKX-UHFFFAOYSA-N
XLogP3.72
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine (CID 174707827) is 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(Nc3ccccc3)n2)cn1.
What is the InChIKey of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine?
The InChIKey is SUCFFMMSTZXSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)15-10-17(24)25-12-14(15)16-11-18(29-6-8-30-9-7-29)28-19(27-16)26-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,24,25)(H,26,27,28).
What are the key properties of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine?
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine has a molecular weight of 416.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 174707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).