4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine

C19H19F3N8O — CID 59198410

IUPAC4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
SMILESCNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1
InChIInChI=1S/C19H19F3N8O/c1-23-17-25-9-12(10-26-17)15-8-16(30-4-6-31-7-5-30)29-18(28-15)27-14-2-3-24-11-13(14)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,23,25,26)(H,24,27,28,29)
InChIKeyQBKJSSJBTRLEPY-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.97
Rot. Bonds5

About 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine

4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine (PubChem CID 59198410) has the molecular formula C19H19F3N8O and a molecular weight of 432.41 g/mol. Its IUPAC name is 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
PubChem CID59198410
Molecular FormulaC19H19F3N8O
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC Name4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
SMILESCNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1
InChIInChI=1S/C19H19F3N8O/c1-23-17-25-9-12(10-26-17)15-8-16(30-4-6-31-7-5-30)29-18(28-15)27-14-2-3-24-11-13(14)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,23,25,26)(H,24,27,28,29)
InChIKeyQBKJSSJBTRLEPY-UHFFFAOYSA-N
XLogP2.97
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine (CID 59198410) is 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine is CNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1.
What is the InChIKey of 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is QBKJSSJBTRLEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8O/c1-23-17-25-9-12(10-26-17)15-8-16(30-4-6-31-7-5-30)29-18(28-15)27-14-2-3-24-11-13(14)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,23,25,26)(H,24,27,28,29).
What are the key properties of 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 432.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)pyrimidin-5-yl]-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 59198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).