5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C55H57F3N22O6 — CID 159591318

IUPAC5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3C(F)(F)F)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3N)n2)c1
InChIInChI=1S/C19H18F3N7O2.C18H20N8O2.C18H19N7O2/c1-30-12-6-11(8-24-9-12)14-7-15(29-2-4-31-5-3-29)27-17(26-14)13-10-25-18(23)28-16(13)19(20,21)22;1-27-12-6-11(8-21-9-12)14-7-15(26-2-4-28-5-3-26)24-17(23-14)13-10-22-18(20)25-16(13)19;1-26-14-6-12(8-20-11-14)15-7-16(25-2-4-27-5-3-25)24-17(23-15)13-9-21-18(19)22-10-13/h6-10H,2-5H2,1H3,(H2,23,25,28);6-10H,2-5H2,1H3,(H4,19,20,22,25);6-11H,2-5H2,1H3,(H2,19,21,22)
InChIKeyMKGVNTYUSKTUOH-UHFFFAOYSA-N
MW1179.20 g/mol
LogP4.87
Rot. Bonds12

About 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 159591318) has the molecular formula C55H57F3N22O6 and a molecular weight of 1179.20 g/mol. Its IUPAC name is 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID159591318
Molecular FormulaC55H57F3N22O6
Molecular Weight1179.20 g/mol
Exact Mass1178.48
IUPAC Name5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3C(F)(F)F)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3N)n2)c1
InChIInChI=1S/C19H18F3N7O2.C18H20N8O2.C18H19N7O2/c1-30-12-6-11(8-24-9-12)14-7-15(29-2-4-31-5-3-29)27-17(26-14)13-10-25-18(23)28-16(13)19(20,21)22;1-27-12-6-11(8-21-9-12)14-7-15(26-2-4-28-5-3-26)24-17(23-14)13-10-22-18(20)25-16(13)19;1-26-14-6-12(8-20-11-14)15-7-16(25-2-4-27-5-3-25)24-17(23-15)13-9-21-18(19)22-10-13/h6-10H,2-5H2,1H3,(H2,23,25,28);6-10H,2-5H2,1H3,(H4,19,20,22,25);6-11H,2-5H2,1H3,(H2,19,21,22)
InChIKeyMKGVNTYUSKTUOH-UHFFFAOYSA-N
XLogP4.87
TPSA362.53 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.20
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 159591318) is 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3C(F)(F)F)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3N)n2)c1.
What is the InChIKey of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MKGVNTYUSKTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2.C18H20N8O2.C18H19N7O2/c1-30-12-6-11(8-24-9-12)14-7-15(29-2-4-31-5-3-29)27-17(26-14)13-10-25-18(23)28-16(13)19(20,21)22;1-27-12-6-11(8-21-9-12)14-7-15(26-2-4-28-5-3-26)24-17(23-14)13-10-22-18(20)25-16(13)19;1-26-14-6-12(8-20-11-14)15-7-16(25-2-4-27-5-3-25)24-17(23-15)13-9-21-18(19)22-10-13/h6-10H,2-5H2,1H3,(H2,23,25,28);6-10H,2-5H2,1H3,(H4,19,20,22,25);6-11H,2-5H2,1H3,(H2,19,21,22).
What are the key properties of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1179.20 g/mol, XLogP of 4.87, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine;5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 159591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).