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

C19H18F3N7O — CID 59507846

IUPAC6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESNc1ccc(-c2cc(Nc3cnccc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)13-3-4-24-11-15(13)26-17-9-14(12-1-2-16(23)25-10-12)27-18(28-17)29-5-7-30-8-6-29/h1-4,9-11H,5-8H2,(H2,23,25)(H,26,27,28)
InChIKeyCGCTUDCWLKZFAF-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.11
Rot. Bonds4

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

6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 59507846) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID59507846
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESNc1ccc(-c2cc(Nc3cnccc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)13-3-4-24-11-15(13)26-17-9-14(12-1-2-16(23)25-10-12)27-18(28-17)29-5-7-30-8-6-29/h1-4,9-11H,5-8H2,(H2,23,25)(H,26,27,28)
InChIKeyCGCTUDCWLKZFAF-UHFFFAOYSA-N
XLogP3.11
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 59507846) is 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is Nc1ccc(-c2cc(Nc3cnccc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is CGCTUDCWLKZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c20-19(21,22)13-3-4-24-11-15(13)26-17-9-14(12-1-2-16(23)25-10-12)27-18(28-17)29-5-7-30-8-6-29/h1-4,9-11H,5-8H2,(H2,23,25)(H,26,27,28).
What are the key properties of 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 417.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 59507846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).