6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine

C26H32F3N9O2 — CID 59507655

IUPAC6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C26H32F3N9O2/c1-16(2)37-7-5-18(6-8-37)40-22-4-3-17(14-31-22)33-21-13-20(34-25(35-21)38-9-11-39-12-10-38)19-15-32-24(30)36-23(19)26(27,28)29/h3-4,13-16,18H,5-12H2,1-2H3,(H2,30,32,36)(H,33,34,35)
InChIKeyXMODUYFAWOKCPP-UHFFFAOYSA-N
MW559.60 g/mol
LogP3.76
Rot. Bonds7

About 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine

6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine (PubChem CID 59507655) has the molecular formula C26H32F3N9O2 and a molecular weight of 559.60 g/mol. Its IUPAC name is 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine
PubChem CID59507655
Molecular FormulaC26H32F3N9O2
Molecular Weight559.60 g/mol
Exact Mass559.26
IUPAC Name6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C26H32F3N9O2/c1-16(2)37-7-5-18(6-8-37)40-22-4-3-17(14-31-22)33-21-13-20(34-25(35-21)38-9-11-39-12-10-38)19-15-32-24(30)36-23(19)26(27,28)29/h3-4,13-16,18H,5-12H2,1-2H3,(H2,30,32,36)(H,33,34,35)
InChIKeyXMODUYFAWOKCPP-UHFFFAOYSA-N
XLogP3.76
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine (CID 59507655) is 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine is CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.
What is the InChIKey of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is XMODUYFAWOKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N9O2/c1-16(2)37-7-5-18(6-8-37)40-22-4-3-17(14-31-22)33-21-13-20(34-25(35-21)38-9-11-39-12-10-38)19-15-32-24(30)36-23(19)26(27,28)29/h3-4,13-16,18H,5-12H2,1-2H3,(H2,30,32,36)(H,33,34,35).
What are the key properties of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine?
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 559.60 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 59507655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).