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

C24H28F3N9O2 — CID 59507693

IUPAC6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C24H28F3N9O2/c1-35-6-4-16(5-7-35)38-20-3-2-15(13-29-20)31-19-12-18(32-23(33-19)36-8-10-37-11-9-36)17-14-30-22(28)34-21(17)24(25,26)27/h2-3,12-14,16H,4-11H2,1H3,(H2,28,30,34)(H,31,32,33)
InChIKeySWRWSWGKMLQTKX-UHFFFAOYSA-N
MW531.54 g/mol
LogP2.98
Rot. Bonds6

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

6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 59507693) has the molecular formula C24H28F3N9O2 and a molecular weight of 531.54 g/mol. Its IUPAC name is 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID59507693
Molecular FormulaC24H28F3N9O2
Molecular Weight531.54 g/mol
Exact Mass531.23
IUPAC Name6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C24H28F3N9O2/c1-35-6-4-16(5-7-35)38-20-3-2-15(13-29-20)31-19-12-18(32-23(33-19)36-8-10-37-11-9-36)17-14-30-22(28)34-21(17)24(25,26)27/h2-3,12-14,16H,4-11H2,1H3,(H2,28,30,34)(H,31,32,33)
InChIKeySWRWSWGKMLQTKX-UHFFFAOYSA-N
XLogP2.98
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 59507693) is 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is CN1CCC(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]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SWRWSWGKMLQTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N9O2/c1-35-6-4-16(5-7-35)38-20-3-2-15(13-29-20)31-19-12-18(32-23(33-19)36-8-10-37-11-9-36)17-14-30-22(28)34-21(17)24(25,26)27/h2-3,12-14,16H,4-11H2,1H3,(H2,28,30,34)(H,31,32,33).
What are the key properties of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 531.54 g/mol, XLogP of 2.98, 6 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]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59507693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).