4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C18H22F3N7O — CID 154883448

IUPAC4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N7O/c1-13-10-16(25-17(24-13)28-6-8-29-9-7-28)27-4-2-26(3-5-27)15-11-14(18(19,20)21)22-12-23-15/h10-12H,2-9H2,1H3
InChIKeyFYPBSFNISHURFE-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.76
Rot. Bonds3

About 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 154883448) has the molecular formula C18H22F3N7O and a molecular weight of 409.42 g/mol. Its IUPAC name is 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID154883448
Molecular FormulaC18H22F3N7O
Molecular Weight409.42 g/mol
Exact Mass409.18
IUPAC Name4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N7O/c1-13-10-16(25-17(24-13)28-6-8-29-9-7-28)27-4-2-26(3-5-27)15-11-14(18(19,20)21)22-12-23-15/h10-12H,2-9H2,1H3
InChIKeyFYPBSFNISHURFE-UHFFFAOYSA-N
XLogP1.76
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 154883448) is 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is FYPBSFNISHURFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O/c1-13-10-16(25-17(24-13)28-6-8-29-9-7-28)27-4-2-26(3-5-27)15-11-14(18(19,20)21)22-12-23-15/h10-12H,2-9H2,1H3.
What are the key properties of 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 409.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 154883448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).